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CHEBI:186903 - 12-HETE-Gly

ChEBI IDCHEBI:186903
ChEBI Name12-HETE-Gly
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H35NO4
Net Charge0
Average Mass377.525
Monoisotopic Mass377.25661
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)NCC(=O)O
InChIInChI=1S/C22H35NO4/c1-2-3-4-5-10-13-16-20(24)17-14-11-8-6-7-9-12-15-18-21(25)23-19-22(26)27/h7-11,13-14,17,20,24H,2-6,12,15-16,18-19H2,1H3,(H,23,25)(H,26,27)/b9-7-,11-8-,13-10-,17-14+/t20-/m0/s1
InChIKeyIEDOAPXQRUEANC-DJNHXDDZSA-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)
12-HETE-Gly (CHEBI:186903) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]amino]acetic acid
Manual XrefsDatabases
LMFA08020144LIPID MAPS
113371124ChemSpider