Infant/Adult Nutritional Formula I (milk-based)
产品信息
分析物数据
分析物名称
浓度
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分子结构
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SMILES
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InChI
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IUPAC
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5'-Adenylic Acid
精确质量测定
347.0631
SMILES
Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
IUPAC
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Alpha-Tocopherol (free)
CAS登记号
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分子式
-
分子量
-
精确质量测定
-
Alpha-Tocopherol (total)
CAS登记号
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分子式
-
分子量
-
精确质量测定
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Ash
CAS登记号
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备用CAS登记号
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无标签CAS登记号
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分子式
-
分子量
-
精确质量测定
-
Beta Tocopherol
精确质量测定
416.3654
SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
IUPAC
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
beta-Carotene
精确质量测定
536.4382
SMILES
C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C
InChI
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
IUPAC
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Biotin
精确质量测定
244.0882
SMILES
OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
InChI
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
IUPAC
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Calcium
精确质量测定
39.963
SMILES
[Ca]
InChI
InChI=1S/Ca
IUPAC
calcium
Calories
CAS登记号
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分子式
-
分子量
-
精确质量测定
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Carbohydrate
CAS登记号
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无标签CAS登记号
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分子式
-
分子量
-
精确质量测定
-
Chlorine
精确质量测定
69.9377
SMILES
ClCl
InChI
InChI=1S/Cl2/c1-2
IUPAC
molecular chlorine
Cholesterol
精确质量测定
386.3549
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
IUPAC
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Chromium
精确质量测定
51.941
SMILES
[Cr]
InChI
InChI=1S/Cr
IUPAC
Chromium
Colecalciferol
精确质量测定
384.3392
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C
InChI
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
IUPAC
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Copper
精确质量测定
62.9296
SMILES
[Cu]
InChI
InChI=1S/Cu
IUPAC
copper
Cyanocobalamin
精确质量测定
1354.5674
SMILES
C[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(=O)N)[C@H]3N4C2=C(C)C5=N6C(=CC7=N8C(=C(C)C9=N([C@]3(C)[C@@](C)(CC(=O)N)[C@@H]9CCC(=O)N)[Co+]468(C#N)N%10=CN([C@H]%11O[C@H](CO)[C@@H](OP(=O)([O-])O1)[C@H]%11O)c%12cc(C)c(C)cc%10%12)[C@@](C)(CC(=O)N)[C@@H]7CCC(=O)N)C(C)(C)[C@@H]5CCC(=O)N
InChI
InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
IUPAC
Cyanocobalamin
Cytidine-5'-monophosphate
精确质量测定
323.0519
SMILES
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
IUPAC
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
D-Pantothenic acid
精确质量测定
219.1107
SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O
InChI
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
IUPAC
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Delta Tocopherol
精确质量测定
402.3498
SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)cc(C)c2O1
InChI
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3
IUPAC
2,8-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
DL-Alanine
精确质量测定
89.0477
SMILES
CC(N)C(=O)O
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
IUPAC
2-aminopropanoic acid
DL-Arginine
精确质量测定
174.1117
SMILES
NC(CCCNC(=N)N)C(=O)O
InChI
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
IUPAC
2-amino-5-carbamimidamidopentanoic acid
DL-Aspartic acid
精确质量测定
133.0375
SMILES
NC(CC(=O)O)C(=O)O
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
IUPAC
2-aminobutanedioic acid
DL-Cystine
精确质量测定
-
SMILES
NC(CSSCC(N)C(=O)O)C(=O)O
DL-Glutamic acid
精确质量测定
147.0532
SMILES
NC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
IUPAC
2-aminopentanedioic acid
DL-Histidine
精确质量测定
155.0695
SMILES
NC(Cc1c[nH]cn1)C(=O)O
InChI
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
IUPAC
2-amino-3-(1H-imidazol-4-yl)propanoic acid
DL-Isoleucine
精确质量测定
131.0946
SMILES
CC[C@H](C)[C@H](N)C(=O)O
InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
IUPAC
(2S,3S)-2-amino-3-methylpentanoic acid
DL-Leucine
精确质量测定
131.0946
SMILES
CC(C)CC(N)C(=O)O
InChI
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
IUPAC
2-amino-4-methylpentanoic acid
DL-Lysine
精确质量测定
146.1055
SMILES
NCCCCC(N)C(=O)O
InChI
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
IUPAC
2,6-diaminohexanoic acid
DL-Phenylalanine
精确质量测定
165.079
SMILES
NC(Cc1ccccc1)C(=O)O
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
IUPAC
2-amino-3-phenylpropanoic acid
DL-Proline
精确质量测定
115.0633
SMILES
OC(=O)C1CCCN1
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
IUPAC
pyrrolidine-2-carboxylic acid
DL-Serine
精确质量测定
105.0426
SMILES
NC(CO)C(=O)O
InChI
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
IUPAC
2-amino-3-hydroxypropanoic acid
DL-Threonine
精确质量测定
119.0582
SMILES
C[C@H](O)[C@@H](N)C(=O)O
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
IUPAC
(2R,3S)-2-amino-3-hydroxybutanoic acid
DL-Tryptophan
精确质量测定
204.0899
SMILES
NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
IUPAC
2-amino-3-(1H-indol-3-yl)propanoic acid
DL-Tyrosine
精确质量测定
181.0739
SMILES
NC(Cc1ccc(O)cc1)C(=O)O
InChI
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
IUPAC
2-amino-3-(4-hydroxyphenyl)propanoic acid
DL-Valine
精确质量测定
117.079
SMILES
CC(C)C(N)C(=O)O
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
IUPAC
2-amino-3-methylbutanoic acid
Ergocalciferol
精确质量测定
396.3392
SMILES
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C
InChI
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
IUPAC
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Fat
CAS登记号
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无标签CAS登记号
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分子式
-
分子量
-
精确质量测定
-
Fluoride
精确质量测定
19
SMILES
[F-]
IUPAC
Fluoride
Folic Acid
精确质量测定
441.1397
SMILES
NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2N1
InChI
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
IUPAC
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Galactooligosaccharides
CAS登记号
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备用CAS登记号
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无标签CAS登记号
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分子式
-
分子量
-
精确质量测定
-
Gamma Tocopherol
精确质量测定
416.3654
SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
IUPAC
2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
Glucose
CAS登记号
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备用CAS登记号
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无标签CAS登记号
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分子式
-
分子量
-
精确质量测定
-
Glycine
精确质量测定
75.032
SMILES
NCC(=O)O
InChI
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
IUPAC
2-aminoacetic acid
Guanosine-5'-monophosphate
精确质量测定
363.058
SMILES
NC1=Nc2c(ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C(=O)N1
InChI
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
IUPAC
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Iodine
精确质量测定
253.8089
SMILES
II
InChI
InChI=1S/I2/c1-2
IUPAC
molecular iodine
Iron
精确质量测定
55.9349
SMILES
[Fe]
InChI
InChI=1S/Fe
IUPAC
iron
L-Ascorbic Acid
精确质量测定
176.0321
SMILES
OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
IUPAC
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
Lactose
精确质量测定
342.1162
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
IUPAC
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6RS)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
Lutein
精确质量测定
568.428
SMILES
C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)\C=C\C=C(/C)\C=C\[C@H]2C(=C[C@H](O)CC2(C)C)C
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
IUPAC
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Lycopene
精确质量测定
536.4382
SMILES
CC(=CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)\C)\C)\C)C
InChI
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
IUPAC
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
Magnesium
精确质量测定
23.985
SMILES
[Mg]
InChI
InChI=1S/Mg
IUPAC
magnesium
Manganese
精确质量测定
54.938
SMILES
[Mn]
InChI
InChI=1S/Mn
IUPAC
Manganese
Methionine (Free)
CAS登记号
-
备用CAS登记号
-
无标签CAS登记号
-
分子式
-
分子量
-
精确质量测定
-
Methionine (Total)
CAS登记号
-
备用CAS登记号
-
无标签CAS登记号
-
分子式
-
分子量
-
精确质量测定
-
Molybdenum
精确质量测定
-
SMILES
[Mo]
InChI
InChI=1S/Mo
IUPAC
Molybdenum
myo-Inositol
精确质量测定
180.0634
SMILES
O[C@@H]1[C@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
IUPAC
cyclohexane-1,2,3,4,5,6-hexol
Nicotinamide (Vitamin B3)
精确质量测定
122.048
SMILES
NC(=O)c1cccnc1
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
IUPAC
pyridine-3-carboxamide
Phosphorus
精确质量测定
30.9738
SMILES
[P]
InChI
InChI=1S/P
IUPAC
phosphorus
Potassium
精确质量测定
38.9637
SMILES
[K]
InChI
InChI=1S/K.H
IUPAC
potassium
Protein
CAS登记号
-
备用CAS登记号
-
无标签CAS登记号
-
分子式
-
分子量
-
精确质量测定
-
Selenium
精确质量测定
79.9165
SMILES
[Se]
InChI
InChI=1S/Se
IUPAC
selenium
Sodium
精确质量测定
22.9898
SMILES
[Na]
InChI
InChI=1S/Na
IUPAC
sodium
Solids
CAS登记号
-
备用CAS登记号
-
无标签CAS登记号
-
分子式
-
分子量
-
精确质量测定
-
Taurine
精确质量测定
125.0147
SMILES
NCCS(=O)(=O)O
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
IUPAC
2-aminoethanesulfonic acid
Thiamine
精确质量测定
300.0812
SMILES
[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
InChI
/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)
IUPAC
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride
Total Carnitine
CAS登记号
-
备用CAS登记号
-
无标签CAS登记号
-
分子式
-
分子量
-
精确质量测定
-
Total Choline
CAS登记号
-
备用CAS登记号
-
无标签CAS登记号
-
分子式
-
分子量
-
精确质量测定
-
Total Nucleotide Equivalents
CAS登记号
-
备用CAS登记号
-
无标签CAS登记号
-
分子式
-
分子量
-
精确质量测定
-
Total sugars
CAS登记号
-
备用CAS登记号
-
无标签CAS登记号
-
分子式
-
分子量
-
精确质量测定
-
Uridine 5'-Monophosphate
精确质量测定
324.04
SMILES
O[C@H]1[C@@H](O)[C@H](N(C=C2)C(NC2=O)=O)O[C@@H]1COP(O)(O)=O
InChI
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
IUPAC
((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
Vitamin A (as retinol)
精确质量测定
286.2297
SMILES
C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
InChI
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
IUPAC
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
Vitamin A acetate (Retinol acetate)
精确质量测定
328.2402
SMILES
CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
IUPAC
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
Vitamin A palmitate (Retinol palmitate)
精确质量测定
524.4593
SMILES
CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
IUPAC
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate
Vitamin B2 (Riboflavin)
精确质量测定
376.1383
SMILES
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
InChI
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
IUPAC
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Vitamin B6 (Pyridoxine)
精确质量测定
169.0739
SMILES
Cc1ncc(CO)c(CO)c1O
InChI
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
IUPAC
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Vitamin E acetate (DL-alpha-Tocopherol acetate)
CAS登记号
无标签CAS登记号
-
分子式
C31 H52 O3
分子量
472.74
精确质量测定
472.3916
SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1
InChI
InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
IUPAC
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
Vitamin K1 (cis and trans)
CAS登记号
-
备用CAS登记号
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无标签CAS登记号
-
分子式
C31 H46 O2
分子量
450.70
精确质量测定
450.3498
SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(=CCC1=C(C)C(=O)c2ccccc2C1=O)C
InChI
InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/t23-,24-/m1/s1
IUPAC
2-methyl-3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Zinc
精确质量测定
63.9291
SMILES
[Zn]
InChI
InChI=1S/Zn
IUPAC
zinc
产品数据
存储温度
-30°C
运输温度
Dry ice
原产国
UNITED STATES
产品形式
Matrix Material
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