Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28726
Common Name:	(-)-Fusidic acid
Systematic Name:	(-)-16beta-acetoxy-3alpha,11alpha-dihydroxyfusida-17(20)Z,24-diene-21-oic acid
RefMet Name:	Fusidic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	516.3451 (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:	C31H48O6
InChIKey:	IECPWNUMDGFDKC-MZJAQBGESA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C30 isoprenoids (triterpenes) [PR0106]
LIPID MAPS level4class:	Prostostane and fusidane triterpenoids [LMPR010604]
SMILES:	CC(=CCC/C(=C/1[C@@H]2C[C@H]([C@H]3[C@@]4(C)CC[C@H]([C@@H](C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@@H]1OC(=O)C)O)O)/C(=O)O)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	3000226
LIPID MAPS ID:	LMPR0106040001
CHEBI ID:	29013
HMDB ID:	HMDB0015570
KEGG ID:	C06694
Chemspider ID:	2271900
Plant Metabolite Hub(Pmhub):	MS000011425

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