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

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

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ChEBI ID	CHEBI:15580
ChEBI Name	(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
Stars
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.
Secondary ChEBI IDs	CHEBI:180, CHEBI:10856, CHEBI:18541
Last Modified	7 November 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C16H26O3
Net Charge	0
Average Mass	266.381
Monoisotopic Mass	266.18819
SMILES	CC[C@]1(C)O[C@@H]1CC/C(C)=C/CC/C(C)=C/C(=O)O
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

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(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 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 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 conjugate acid of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate (CHEBI:57421)
Incoming Relation(s)
Incoming Relation(s)	(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	Source
(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	ChEBI
(2E,6E)-10,11-Epoxy-3,7,11-trimethyltridecadienoic acid	KEGG COMPOUND
(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid	KEGG COMPOUND
(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoate	KEGG COMPOUND

Manual Xrefs	Databases
C04834	KEGG COMPOUND
C04834	KEGG COMPOUND
LMFA01070019	LIPID MAPS