Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50741
Common Name:	Biliverdin
Systematic Name:	biliverdin
RefMet Name:	Biliverdin
Synonyms:	8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbilin-1(19)(21H,24H)-dione; Biliverdine [PubChem Synonyms]
Exact Mass:	582.2478 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C33H34N4O6
InChIKey:	QBUVFDKTZJNUPP-BBROENKCSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Tetrapyrroles and derivatives [C0001455]
ClassyFire subclass:	Bilirubins [C0001593]
ClassyFire direct parent:	Bilirubins [C0001593]
Massbank MS spectra:	View MS spectra
SMILES:	C=CC1=C(C)C(=O)N/C/1=Cc1c(C)c(CCC(=O)O)c(/C=C/C(=C(C)C(=N2)/C=C/C(=C(C=C)C(=O)N2)C)CCC(=O)O)[nH]1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5280353
CHEBI ID:	17033
HMDB ID:	HMDB0001008
KEGG ID:	C00500
Plant Metabolite Hub(Pmhub):	MS000008619

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y