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CHEBI:61301 - germacra-1(10),4,11(13)-trien-12-oate

ChEBI IDCHEBI:61301
ChEBI Namegermacra-1(10),4,11(13)-trien-12-oate
Stars
DefinitionA monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of germacra-1(10),4,11(13)-trien-12-oic acid.
Last Modified10 February 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H21O2
Net Charge-1
Average Mass233.331
Monoisotopic Mass233.15470
SMILESC=C(C(=O)[O-])[C@H]1C/C=C(\C)CC/C=C(\C)CC1
InChIInChI=1S/C15H22O2/c1-11-5-4-6-12(2)8-10-14(9-7-11)13(3)15(16)17/h5,8,14H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/p-1/b11-5+,12-8+/t14-/m1/s1
InChIKeyIBJVPIJUFFVDBS-JBMXZMKISA-M
ChEBI Ontology
Outgoing Relation(s)
germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301) is a monocarboxylic acid anion (CHEBI:35757)
germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301) is conjugate base of germacra-1(10),4,11(13)-trien-12-oic acid (CHEBI:61305)
Incoming Relation(s)
6α,8β-hydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:142466) has functional parent germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301)
8α-hydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:142490) has functional parent germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301)
8β-hydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:142464) has functional parent germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301)
germacra-1(10),4,11(13)-trien-12-oic acid (CHEBI:61305) is conjugate acid of germacra-1(10),4,11(13)-trien-12-oate (CHEBI:61301)
IUPAC Name 
2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoate
Synonym  Source
germacrene acid anionChEBI
UniProt Name  Source
germacra-1(10),4,11(13)-trien-12-oateUniProt
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CPD-9413MetaCyc
Citations