TG(20:0/18:0/14:1(9Z)) (CHEBI:171541)

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CHEBI:171541 - TG(20:0/18:0/14:1(9Z))

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ChEBI ID	CHEBI:171541
ChEBI Name	TG(20:0/18:0/14:1(9Z))
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C55H104O6
Net Charge	0
Average Mass	861.431
Monoisotopic Mass	860.78329
SMILES	CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-/t52-/m1/s1
InChIKey	OJGNIFPCUMXXFV-AYIAWJIRSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	Hepa-RG cell (BTO:0005736)	MetaboLights (MTBLS78)	Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
	Hepa-RG cell (BTO:0005736)	MetaboLights (MTBLS78)
	HeLa cell (BTO:0000567)	MetaboLights (MTBLS78)
	HeLa cell;NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)

ChEBI Ontology

Outgoing Relation(s)
	TG(20:0/18:0/14:1(9Z)) (CHEBI:171541) is a triglyceride (CHEBI:17855)

IUPAC Name
[(2S)-2-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate

Manual Xrefs	Databases
HMDB0045558	HMDB
59654911	ChemSpider
LMGL03014754	LIPID MAPS