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CHEBI:71321 - fusidate

ChEBI IDCHEBI:71321
ChEBI Namefusidate
Stars
DefinitionA steroid acid anion that is the conjugate base of fusidic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified21 November 2014
SubmitterEugeni Belda
DownloadsMolfile
FormulaC31H47O6
Net Charge-1
Average Mass515.711
Monoisotopic Mass515.33781
SMILES[H][C@@]12[C@H](O)C[C@@]3([H])/C(=C(\CCC=C(C)C)C(=O)[O-])[C@@H](OC(C)=O)C[C@]3(C)[C@@]1(C)CC[C@@]1([H])[C@H](C)[C@H](O)CC[C@]21C
InChIInChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/p-1/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
InChIKeyIECPWNUMDGFDKC-MZJAQBGESA-M
ChEBI Ontology
Outgoing Relation(s)
fusidate (CHEBI:71321) is a steroid acid anion (CHEBI:50160)
fusidate (CHEBI:71321) is conjugate base of fusidic acid (CHEBI:29013)
Incoming Relation(s)
fusidic acid (CHEBI:29013) is conjugate acid of fusidate (CHEBI:71321)
IUPAC Name 
(2Z)-2-[(17Z)-16β-acetoxy-3α,11α-dihydroxy-4α,8α,10,14β-tetramethyl-5α,9β,13α-gonan-17-ylidene]-6-methylhept-5-enoate
Synonyms  Source
fusidineMetaCyc
ramycinMetaCyc
UniProt Name  Source
fusidateUniProt
Manual XrefsDatabases
CPD0-1606MetaCyc