Microcystin-LR

Microcystin-LR
Names
	IUPAC name (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-Methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
	Other names 5-L-Arginine-microcystin LA
Identifiers
CAS Number	101043-37-2 ;
3D model (JSmol)	Interactive image;
Abbreviations	MC-LR, MCYST-LR
ChEBI	CHEBI:6925 ;
ChEMBL	ChEMBL444092 ;
ChemSpider	4941647 ;
ECHA InfoCard	100.150.186
EC Number	621-323-9;
IUPHAR/BPS	4735;
KEGG	C05371;
PubChem CID	24896778;
UNII	EQ8332842Y ;
CompTox Dashboard (EPA)	DTXSID3031654 ;
	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 Key: ZYZCGGRZINLQBL-JCGNTXOTSA-N ; 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;
	SMILES CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C;
Properties
Chemical formula	C49H74N10O12
Molar mass	995.189 g·mol−1
Appearance	White solid
Density	1.299 g/cm3
Solubility in ethanol	1 mg/mL
log P	−1.44
Pharmacology
Routes of; administration	Ingestion
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	extremely toxic
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H300, H310, H315, H317, H319, H335
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	5 mg/kg
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Microcystin-LR (MC-LR) is a toxin produced by cyanobacteria. It is the most toxic of the microcystins.