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CHEBI:183350 - 13-Hpotre(R)

ChEBI IDCHEBI:183350
ChEBI Name13-Hpotre(R)
Stars
Last Modified24 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCC/C=C\CC(/C=C/C=C/CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7+,11-3-,15-12+
InChIKeyUYQGVDXDXBAABN-SKEAHQKTSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
13-Hpotre(R) (CHEBI:183350) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
13-Hpotre(R) (CHEBI:183350) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Names 
(9E,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
(6Z,9Z,11E,13S)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
Manual XrefsDatabases
LMFA02000110LIPID MAPS
24608106ChemSpider