Microcystin-LR (15N10, 98%)

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Analyte Name

Microcystin-LR (15N10)

Molecular Formula

C49H7415N10O12

Molecular Weight

1005.10

Measured Value

10 μg/mL

Accurate Mass

1004.5191

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(=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/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1/i50+1,51+1,52+1,53+1,54+1,55+1,56+1,57+1,58+1,59+1

IUPAC

(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-[(azanylcarbonimidoyl)amino]propyl]-8-isobutyl-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

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Transport Restrictions

Air Excepted

Product Type

Stable Isotope Labelled

Product Format

Single Solution

Matrix

Methanol:Water (1:1)