Microcystin-RR (15N13, 98%)
Product Code
CIL-NLM-10340-1.2
Product Format
Single Solution
Matrix
Methanol:Water (1:1)
Molecular Formula
C50H7715N13O12
Molecular Weight
1065.14
Product Categories
Environmental Food Contaminant Reference Materials , Stable Isotope Labelled Compound Reference Materials , Cambridge Isotope Laboratories, Marine and freshwater toxins, Marine and Freshwater Toxin Reference Materials
Product Type
Stable Isotope LabelledProduct Information
Analyte Data
Analyte Name
Microcystin-RR (15N13)
Molecular Formula
C50H7715N13O12
Molecular Weight
1065.14
Concentration
10 μg/mL
Accurate Mass
1064.5429
SMILES
CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]2[15NH]C(=O)[C@H](CCC[15NH]C(=[15NH])[15NH2])[15NH]C(=O)[C@@H](C)[C@@H]([15NH]C(=O)[C@H](CC(C)C[15NH]C(=[15NH])[15NH2])[15NH]C(=O)[C@@H](C)[15NH]C(=O)C(=C)[15N](C)C(=O)CC[C@@H]([15NH]C(=O)[C@H]2C)C(=O)O)C(=O)O
InChI
InChI=1S/C50H77N13O12/c1-26(22-28(3)38(75-9)24-33-14-11-10-12-15-33)17-18-34-29(4)41(65)60-36(47(71)72)19-20-39(64)63(8)32(7)44(68)57-31(6)43(67)61-37(23-27(2)25-56-50(53)54)46(70)62-40(48(73)74)30(5)42(66)59-35(45(69)58-34)16-13-21-55-49(51)52/h10-12,14-15,17-18,22,27-31,34-38,40H,7,13,16,19-21,23-25H2,1-6,8-9H3,(H,57,68)(H,58,69)(H,59,66)(H,60,65)(H,61,67)(H,62,70)(H,71,72)(H,73,74)(H4,51,52,55)(H4,53,54,56)/b18-17+,26-22+/t27?,28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1/i51+1,52+1,53+1,54+1,55+1,56+1,57+1,58+1,59+1,60+1,61+1,62+1,63+1
IUPAC
(5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-[(azanylcarbonimidoyl)amino]-2-methyl-propyl]-15-[3-[(azanylcarbonimidoyl)amino]propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SIL Type
Nitrogen
Product Data
Storage Temperature
-20°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
UNITED STATES
Transport Restrictions
Air Excepted
Product Type
Stable Isotope Labelled
Product Format
Single Solution
Matrix
Methanol:Water (1:1)