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CHEBI:169550 - 12-HETE-T

ChEBI IDCHEBI:169550
ChEBI Name12-HETE-T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H37NO5S
Net Charge0
Average Mass427.607
Monoisotopic Mass427.23924
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C22H37NO5S/c1-2-3-4-5-10-13-16-21(24)17-14-11-8-6-7-9-12-15-18-22(25)23-19-20-29(26,27)28/h7-11,13-14,17,21,24H,2-6,12,15-16,18-20H2,1H3,(H,23,25)(H,26,27,28)/b9-7-,11-8-,13-10-,17-14+/t21-/m0/s1
InChIKeyMXYVCCTWGGKTFE-KUJNIBRASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
12-HETE-T (CHEBI:169550) is a fatty amide (CHEBI:29348)
IUPAC Name 
2-[[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]amino]ethanesulonic acid
Manual XrefsDatabases
LMFA08020150LIPID MAPS