Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28963
Common Name:	Norbixin
Systematic Name:	(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
RefMet Name:	Norbixin
Synonyms:	[PubChem Synonyms]
Exact Mass:	380.1988 (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:	C24H28O4
InChIKey:	ZVKOASAVGLETCT-UOGKPENDSA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C40 isoprenoids (tetraterpenes) [PR0107]
SMILES:	C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)O)/C=C/C=C(\C)/C=C/C(=O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5281249
LIPID MAPS ID:	LMPR01070209
CHEBI ID:	7623
HMDB ID:	HMDB0035832
KEGG ID:	C08608
Chemspider ID:	4444661
Plant Metabolite Hub(Pmhub):	MS000020050

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