CHEBI:188102 - Biliverdin IX

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Biliverdin IX
ChEBI ID CHEBI:188102
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H34N4O6
Net Charge 0
Average Mass 582.657
Monoisotopic Mass 582.24783
InChI InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,28-15-
InChIKey RCNSAJSGRJSBKK-NSQVQWHSSA-N
SMILES OC(=O)CCC1=C(NC(=C1C)/C=C/2\NC(=O)C(=C2C=C)C)/C=C/3\N/C(/C(=C3CCC(O)=O)C)=C\C4=NC(=O)C(=C4C)C=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Biliverdin IX (CHEBI:188102) is a biladienes (CHEBI:36735)
IUPAC Name
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
Manual Xrefs Databases
4444056 ChemSpider
C00500 KEGG COMPOUND
View more database links