15-HETE-T (CHEBI:169433)

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CHEBI:169433 - 15-HETE-T

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ChEBI ID	CHEBI:169433
ChEBI Name	15-HETE-T
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H37NO5S
Net Charge	0
Average Mass	427.607
Monoisotopic Mass	427.23924
SMILES	CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)O
InChI	InChI=1S/C22H37NO5S/c1-2-3-13-16-21(24)17-14-11-9-7-5-4-6-8-10-12-15-18-22(25)23-19-20-29(26,27)28/h4-5,8-11,14,17,21,24H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,25)(H,26,27,28)/b5-4-,10-8-,11-9-,17-14+/t21-/m0/s1
InChIKey	HTGCVHGWSMJHHD-BPVVGZHASA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	15-HETE-T (CHEBI:169433) is a fatty amide (CHEBI:29348)

IUPAC Name
2-[[(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]amino]ethanesulonic acid

Manual Xrefs	Databases
LMFA08020149	LIPID MAPS