EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57297 - ent-kaur-16-en-19-oate

ChEBI IDCHEBI:57297
ChEBI Nameent-kaur-16-en-19-oate
Stars
ASCII Nameent-kaur-16-en-19-oate
DefinitionA monocarboxylic acid anion that is the conjugate base of ent-kaur-16-en-19-oic acid, obtained by deprotonation of the carboxy group.
Last Modified8 July 2015
DownloadsMolfile
FormulaC20H29O2
Net Charge-1
Average Mass301.450
Monoisotopic Mass301.21730
SMILES[H][C@]12CC[C@]34CC(=C)[C@H](CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)[O-])C4
InChIInChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/p-1/t14-,15+,16+,18-,19-,20-/m1/s1
InChIKeyNIKHGUQULKYIGE-OTCXFQBHSA-M
ChEBI Ontology
Outgoing Relation(s)
ent-kaur-16-en-19-oate (CHEBI:57297) is a monocarboxylic acid anion (CHEBI:35757)
ent-kaur-16-en-19-oate (CHEBI:57297) is conjugate base of ent-kaur-16-en-19-oic acid (CHEBI:15417)
Incoming Relation(s)
ent-kaur-16-en-19-oic acid (CHEBI:15417) is conjugate acid of ent-kaur-16-en-19-oate (CHEBI:57297)
IUPAC Name 
ent-kaur-16-en-19-oate
UniProt Name  Source
ent-kaur-16-en-19-oateUniProt
Manual XrefsDatabases
CPD1F-132MetaCyc
Registry NumbersSources
Beilstein:7141541Beilstein