CHEBI:57298 - ent-7α-hydroxykaur-16-en-19-oate

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ChEBI Name ent-7α-hydroxykaur-16-en-19-oate
ChEBI ID CHEBI:57298
ChEBI ASCII Name ent-7alpha-hydroxykaur-16-en-19-oate
Definition A monocarboxylic acid anion that is the conjugate base of ent-7α-hydroxykaur-16-en-19-oic acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H29O3
Net Charge -1
Average Mass 317.44250
Monoisotopic Mass 317.21222
InChI InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/p-1/t13-,14+,15+,16+,18+,19-,20+/m1/s1
InChIKey KMLXVEXJZSTMBV-YDIYEOSVSA-M
SMILES [H][C@]12C[C@H](O)[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C([O-])=O)C(=C)C4
ChEBI Ontology
Outgoing ent-7α-hydroxykaur-16-en-19-oate (CHEBI:57298) is a monocarboxylic acid anion (CHEBI:35757)
ent-7α-hydroxykaur-16-en-19-oate (CHEBI:57298) is conjugate base of ent-7α-hydroxykaur-16-en-19-oic acid (CHEBI:15419)
Incoming ent-7α-hydroxykaur-16-en-19-oic acid (CHEBI:15419) is conjugate acid of ent-7α-hydroxykaur-16-en-19-oate (CHEBI:57298)
IUPAC Name
ent-7α-hydroxykaur-16-en-19-oate
Synonym Source
ent-7α-hydroxykaur-16-en-19-oate UniProt
Manual Xref Database
CPD1F-136 MetaCyc
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Last Modified
13 August 2015