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CHEBI:184610 - 14,15-HxA3-D(11S)

ChEBI IDCHEBI:184610
ChEBI Name14,15-HxA3-D(11S)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42N2O7S
Net Charge0
Average Mass514.685
Monoisotopic Mass514.27127
SMILESCCCCC[C@H](O)[C@@H](/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)O)SC[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C25H42N2O7S/c1-2-3-9-13-21(29)22(35-18-20(26)25(34)27-17-24(32)33)16-15-19(28)12-10-7-5-4-6-8-11-14-23(30)31/h4,6-7,10,15-16,19-22,28-29H,2-3,5,8-9,11-14,17-18,26H2,1H3,(H,27,34)(H,30,31)(H,32,33)/b6-4-,10-7-,16-15+/t19-,20-,21-,22+/m0/s1
InChIKeyPPVZAWNVARPNML-FSHNSKAYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT: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)
14,15-HxA3-D(11S) (CHEBI:184610) is a hydroxy fatty acid (CHEBI:24654)
14,15-HxA3-D(11S) (CHEBI:184610) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(5Z,8Z,11S,12E,14R,15S)-14-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulanyl-11,15-dihydroxyicosa-5,8,12-trienoic acid
Manual XrefsDatabases
LMFA03090009LIPID MAPS
113369450ChemSpider