BLV

BILIVERDIN IX GAMMA CHROMOPHORE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where BLV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	77
Chiral Atom Count	0
Bond Count	80
Aromatic Bond Count	10

2D diagram of BLV

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Chemical Component Summary
Name	BILIVERDIN IX GAMMA CHROMOPHORE
Systematic Name (OpenEye OEToolkits)	3-[5-[[5-[(Z)-[5-[[4-(2-carboxyethyl)-3-methyl-5-oxo-pyrrol-2-yl]methylidene]-4-ethenyl-3-methyl-pyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxo-pyrrol-3-yl]propanoic acid
Formula	C₃₃ H₃₄ N₄ O₆
Molecular Weight	582.646
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.341	CC1=C(CCC(O)=O)C(=O)NC1=Cc2[nH]c(C=C3NC(=CC4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C
Canonical SMILES	CACTVS	3.341	CC1=C(CCC(O)=O)C(=O)N\C1=C/c2[nH]c(\C=C3/N/C(=C\C4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C
InChI	InChI	1.03	InChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-18(5)22(32(42)36-26)9-11-30(38)39)34-28(20)14-25-17(4)21(8-2)29(35-25)15-27-19(6)23(33(43)37-27)10-12-31(40)41/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b25-14-,26-13-,29-15-
InChIKey	InChI	1.03	ISQGGWQAVOHBFX-BGSBWKAWSA-N

Drug Info: DrugBank

DrugBank ID	DB02864
Name	Biliverdin Ix Gamma Chromophore
Groups	experimental
Synonyms	Biliverdin Ix Gamma Chromophore

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.