Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50648
Common Name:	15,16-dihydrobiliverdin
Systematic Name:	8,12-bis(2-carboxyethyl)-3,18-ethenyl-2,7,13,17-tetramethyl-15,16-dihydrobilin-1,19(21H,24H)-dione
RefMet Name:	15,16-Dihydrobiliverdin
Synonyms:	[PubChem Synonyms]
Exact Mass:	584.2635 (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:	C33H36N4O6
InChIKey:	ZQHDSLZHMAUUQK-ZTYGKHTCSA-N
ClassyFire superclass:	Organoheterocyclic compounds
ClassyFire class:	Tetrapyrroles and derivatives
ClassyFire subclass:	Bilirubins
ClassyFire direct parent:	Bilirubins
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@@H]2C(=C(C=C)C(=O)N2)C)CCC(=O)O)[nH]1
Studies:	Available studies (via RefMet name)

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PubChem CID:	5281957
CHEBI ID:	16790

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