(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237)

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CHEBI:63237 - (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

Default Structure

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ChEBI ID	CHEBI:63237
ChEBI Name	(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Stars
ASCII Name	(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Definition	A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid which has R-configuration at the chiral centre.
Last Modified	23 November 2011
Submitter	Gareth Owen
Downloads	Molfile

Formula	C18H30O4
Net Charge	0
Average Mass	310.434
Monoisotopic Mass	310.21441
SMILES	CC/C=C\C/C=C\C=C\[C@@H](CCCCCCCC(=O)O)OO
InChI	InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m0/s1
InChIKey	RWKJTIHNYSIIHW-RWUWUJKWSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237) is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238)
	(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237) is conjugate acid of (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63241)
	(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237) is enantiomer of (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:60961)
Incoming Relation(s)
	(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63241) is conjugate base of (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237)
	(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:60961) is enantiomer of (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237)

IUPAC Name
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

Synonyms	Source
(10E,12Z,15Z)-(9R)-9-hydroperoxyoctadeca-10,12,15-trienoic acid	ChEBI
9(R)-HPOT	ChEBI
9(R)-HPOTE	ChEBI
9(R)-HpOTrE	ChEBI

Registry Numbers	Sources
Reaxys:15859474	Reaxys

Citations