CHEBI:201424 - Fusidate sodium

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fusidate sodium
ChEBI ID CHEBI:201424
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H47O6.Na
Net Charge 0
Average Mass 538.701
Monoisotopic Mass 538.32703
InChI InChI=1S/C31H48O6.Na/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);/q;+1/p-1
InChIKey HJHVQCXHVMGZNC-UHFFFAOYSA-M
SMILES [Na+].O=C([O-])C(=C1C2C(C3(C(C4(C(C(C(O)CC4)C)CC3)C)C(C2)O)C)(C)CC1OC(=O)C)CCC=C(C)C
ChEBI Ontology
Outgoing Fusidate sodium (CHEBI:201424) is a steroid ester (CHEBI:47880)
IUPAC Name
sodium;(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate
Manual Xrefs Databases
2298842 ChemSpider
D00213 KEGG DRUG
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