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CHEBI:167454 - stellatate

ChEBI IDCHEBI:167454
ChEBI Namestellatate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of stellatic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified22 April 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H37O2
Net Charge-1
Average Mass369.569
Monoisotopic Mass369.27990
SMILES[H][C@@]12CC/C(C)=C/CC/C(C(=O)[O-])=C/C[C@@]1(C)CC[C@]1([H])[C@@H](C(=C)C)CC[C@@]21C
InChIInChI=1S/C25H38O2/c1-17(2)20-12-16-25(5)21(20)13-15-24(4)14-11-19(23(26)27)8-6-7-18(3)9-10-22(24)25/h7,11,20-22H,1,6,8-10,12-16H2,2-5H3,(H,26,27)/p-1/b18-7+,19-11-/t20-,21-,22-,24+,25-/m1/s1
InChIKeyFSKFLBQJBSQQKA-DMZCBJAKSA-M
ChEBI Ontology
Outgoing Relation(s)
stellatate (CHEBI:167454) is a monocarboxylic acid anion (CHEBI:35757)
stellatate (CHEBI:167454) is conjugate base of stellatic acid (CHEBI:169999)
Incoming Relation(s)
stellatic acid (CHEBI:169999) is conjugate acid of stellatate (CHEBI:167454)
IUPAC Name 
(3S,3aR,5aR,7Z,11E,14aR,14bR)-5a,12,14b-trimethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydrocycloundeca[e]indene-8-carboxylate
UniProt Name  Source
stellatateUniProt
Manual XrefsDatabases
CPD-18556MetaCyc
Citations