CHEBI:71321 - fusidate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name fusidate
ChEBI ID CHEBI:71321
Definition A steroid acid anion that is the conjugate base of fusidic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C31H47O6
Net Charge -1
Average Mass 515.70130
Monoisotopic Mass 515.33781
InChI InChI=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
InChIKey IECPWNUMDGFDKC-MZJAQBGESA-M
SMILES [H][C@@]12CC[C@@]3(C)[C@@]([H])([C@H](O)C[C@@]4([H])\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O)[C@@]1(C)CC[C@@H](O)[C@H]2C
ChEBI Ontology
Outgoing fusidate (CHEBI:71321) is a steroid acid anion (CHEBI:50160)
fusidate (CHEBI:71321) is conjugate base of fusidic acid (CHEBI:29013)
Incoming 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 Sources
fusidate UniProt
fusidine MetaCyc
ramycin MetaCyc
Manual Xref Database
CPD0-1606 MetaCyc
View more database links
Last Modified
21 November 2014