Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28958
Common Name:	6'-Hydroxysiphonaxanthin
Systematic Name:	(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-(hydroxymethyl)-1-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
RefMet Name:	6'-Hydroxysiphonaxanthin
Synonyms:	[PubChem Synonyms]
Exact Mass:	616.4128 (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:	C40H56O5
InChIKey:	YQJDYMVGIAROMZ-SLYFCCOISA-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(/CO)\C(=O)CC1=C(C)C[C@H](CC1(C)C)O)/C=C/C=C(\C)/C=C/C1(C(=C[C@@H](CC1(C)C)O)C)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	16061303
LIPID MAPS ID:	LMPR01070204

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