MBV

MESOBILIVERDIN IV ALPHA

Created: 2000-11-20
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count0
Bond Count84
Aromatic Bond Count5
2D diagram of MBV
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Chemical Component Summary

NameMESOBILIVERDIN IV ALPHA
Systematic Name (OpenEye OEToolkits)3-[(5Z)-5-[[4-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-2-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid
FormulaC33 H38 N4 O6
Molecular Weight586.678
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.341CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4CC)C)C(=C3C)CCC(O)=O)c(C)c2CCC(O)=O
SMILESOpenEye OEToolkits1.5.0CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C
Canonical SMILESCACTVS3.341 CCC1=C(C)C(=O)N\C1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4CC)C)C(=C3C)CCC(O)=O)c(C)c2CCC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C
InChIInChI1.03 InChI=1S/C33H38N4O6/c1-7-20-18(5)32(42)36-26(20)14-28-22(9-11-30(38)39)16(3)24(34-28)13-25-17(4)23(10-12-31(40)41)29(35-25)15-27-21(8-2)19(6)33(43)37-27/h13-15,34H,7-12H2,1-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b25-13-,26-14-,27-15-
InChIKeyInChI1.03 OJKQMHYPQBCGFM-BMHFDQIVSA-N

Drug Info: DrugBank

DrugBank IDDB04363 
NameMesobiliverdin IV alpha
Groups experimental
SynonymsMesobiliverdin IV alpha

Drug Targets

NameTarget SequencePharmacological ActionActions
Flavin reductase (NADPH)MAVKKIAIFGATGQTGLTTLAQAVQAGYEVTVLVRDSSRLPSEGPRPAHV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682