CHEBI:35680 - abietate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name abietate
ChEBI ID CHEBI:35680
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H29O2
Net Charge -1
Average Mass 301.44306
Monoisotopic Mass 301.21730
InChI InChI=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
InChIKey RSWGJHLUYNHPMX-ONCXSQPRSA-M
SMILES [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C
ChEBI Ontology
Outgoing 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 abietic acid (CHEBI:28987) is conjugate acid of abietate (CHEBI:35680)
IUPAC Name
abieta-7,13-dien-18-oate
Synonym Source
abieta-7,13-dien-18-oate UniProt
Registry Number Type Source
385720 Gmelin Registry Number Gmelin
Last Modified
14 February 2012