CHEBI:169550 - 12-HETE-T

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-HETE-T
ChEBI ID CHEBI:169550
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H37NO5S
Net Charge 0
Average Mass 427.600
Monoisotopic Mass 427.23924
InChI InChI=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
InChIKey MXYVCCTWGGKTFE-KUJNIBRASA-N
SMILES S(O)(=O)(=O)CCNC(=O)CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
LMFA08020150 LIPID MAPS
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