Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
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Preferred Name

Fusidate sodium
Synonyms

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
ID

http://purl.obolibrary.org/obo/CHEBI_201424
charge

0
database_cross_reference

Chemspider:2298842

KEGG:D00213
formula

C31H47O6.Na
has_exact_synonym

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
has_obo_namespace

chebi_ontology
id

CHEBI:201424
in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR
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
label

Fusidate sodium
mass

538.701
monoisotopicmass

538.32703
notation

CHEBI:201424
prefLabel

Fusidate sodium
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
treeView

http://purl.obolibrary.org/obo/CHEBI_47880
subClassOf

http://purl.obolibrary.org/obo/CHEBI_47880
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