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CHEBI:35680 - abietate

ChEBI IDCHEBI:35680
ChEBI Nameabietate
Stars
Last Modified14 February 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC20H29O2
Net Charge-1
Average Mass301.450
Monoisotopic Mass301.21730
SMILES[H][C@@]12CC=C3C=C(C(C)C)CC[C@]3([H])[C@@]1(C)CCC[C@@]2(C)C(=O)[O-]
InChIInChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/p-1/t16-,17+,19+,20+/m0/s1
InChIKeyRSWGJHLUYNHPMX-ONCXSQPRSA-M
ChEBI Ontology
Outgoing Relation(s)
abietate (CHEBI:35680) is a abietane diterpenoid (CHEBI:36762)
abietate (CHEBI:35680) is a monocarboxylic acid anion (CHEBI:35757)
abietate (CHEBI:35680) is conjugate base of abietic acid (CHEBI:28987)
Incoming Relation(s)
abietic acid (CHEBI:28987) is conjugate acid of abietate (CHEBI:35680)
IUPAC Name 
abieta-7,13-dien-18-oate
UniProt Name  Source
abieta-7,13-dien-18-oateUniProt
Registry NumbersSources
Gmelin:385720Gmelin