PRD_000212

Microcystin LR

PRD_000212 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1EVA.

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Chemical Component Summary
Name	Microcystin LR
Identifiers	[azanyl-[3-[(5R,8S,11R,12S,15S,18S,19S,22R)-11,22-dicarboxy-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacos-15-yl]propylamino]methylidene]azanium
Formula	C₄₉ H₇₅ N₁₀ O₁₂
Molecular Weight	996.18
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCNC(=[NH2+])N)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C
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)/p+1/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
InChIKey	ZYZCGGRZINLQBL-GWRQVWKTSA-O
Composition	Polymer Sequences: DAL-LEU-ACB-ARG-1ZN-FGA-DAM
BIRD class	TOXIN
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	146
Chiral Atom Count	10
Bond Count	147
Aromatic Bond Count	6

Related Resource References

Resource Name	Reference
PubChem	445433

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.