CHEBI:143914 - (S)-citronellate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-citronellate
ChEBI ID CHEBI:143914
ChEBI ASCII Name (S)-citronellate
Definition A monounsaturated fatty acid anion that is the conjugate base of (S)-citronellic acid, arising from the deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C10H17O2
Net Charge -1
Average Mass 169.245
Monoisotopic Mass 169.12340
InChI InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/p-1/t9-/m0/s1
InChIKey GJWSUKYXUMVMGX-VIFPVBQESA-M
SMILES [C@H](CCC=C(C)C)(CC([O-])=O)C
ChEBI Ontology
Outgoing (S)-citronellate (CHEBI:143914) is a medium-chain fatty acid anion (CHEBI:59558)
(S)-citronellate (CHEBI:143914) is a monounsaturated fatty acid anion (CHEBI:82680)
(S)-citronellate (CHEBI:143914) is conjugate base of (S)-citronellic acid (CHEBI:144575)
Incoming (S)-citronellic acid (CHEBI:144575) is conjugate acid of (S)-citronellate (CHEBI:143914)
IUPAC Name
(3S)-3,7-dimethyloct-6-enoate
Synonyms Sources
(3S)-3,7-dimethyl-6-octenoate ChEBI
(S)-(−)-citronellate UniProt
(S)-3,7-dimethyl-6-octenoate ChEBI
Manual Xref Database
CPD-12894 MetaCyc
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Last Modified
19 August 2019