CHEBI:15580 - (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid

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ChEBI Name (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
ChEBI ID CHEBI:15580
ChEBI ASCII Name (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
Definition A C16 polyunsaturated fatty acid that is the (10R,11S)-epoxy derivative of trideca-2,6-dienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:180, CHEBI:18541, CHEBI:10856
Supplier Information
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Formula C16H26O3
Net Charge 0
Average Mass 266.37580
Monoisotopic Mass 266.18819
InChI InChI=1S/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)/b12-7+,13-11+/t14-,16+/m1/s1
InChIKey CZRJNVJQSPMQTQ-XKLQKUTNSA-N
SMILES CC[C@]1(C)O[C@@H]1CC\C(C)=C\CC\C(C)=C\C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid (CHEBI:15580) has functional parent trideca-2,6-dienoic acid (CHEBI:36024)
(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid (CHEBI:15580) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid (CHEBI:15580) is a epoxy fatty acid (CHEBI:61498)
(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid (CHEBI:15580) is a long-chain fatty acid (CHEBI:15904)
(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid (CHEBI:15580) is a polyunsaturated fatty acid (CHEBI:26208)
(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid (CHEBI:15580) is conjugate acid of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate (CHEBI:57421)
Incoming (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate (CHEBI:57421) is conjugate base of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid (CHEBI:15580)
IUPAC Name
(2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid
Synonyms Sources
(2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate ChEBI
(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoate KEGG COMPOUND
(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoate KEGG COMPOUND
(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid KEGG COMPOUND
(2E,6E)-10,11-Epoxy-3,7,11-trimethyltridecadienoic acid KEGG COMPOUND
Manual Xrefs Databases
C04834 KEGG COMPOUND
LMFA01070019 LIPID MAPS
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Last Modified
07 November 2014