TG(20:0/14:0/20:3(5Z,8Z,11Z)) (CHEBI:171487)

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CHEBI:171487 - TG(20:0/14:0/20:3(5Z,8Z,11Z))

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ChEBI ID	CHEBI:171487
ChEBI Name	TG(20:0/14:0/20:3(5Z,8Z,11Z))
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C57H104O6
Net Charge	0
Average Mass	885.453
Monoisotopic Mass	884.78329
SMILES	CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24,26,30,32,37,40,54H,4-23,25,27-29,31,33-36,38-39,41-53H2,1-3H3/b26-24-,32-30-,40-37-/t54-/m1/s1
InChIKey	PYZPMTALAXHGCB-CAWRAVACSA-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)
	HeLa cell (BTO:0000567)	MetaboLights (MTBLS78)
	NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	HeLa cell;NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	Hepa-RG cell (BTO:0005736)	MetaboLights (MTBLS78)

ChEBI Ontology

Outgoing Relation(s)
	TG(20:0/14:0/20:3(5Z,8Z,11Z)) (CHEBI:171487) is a triglyceride (CHEBI:17855)

IUPAC Name
[(2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-2-tetradecanoyloxypropyl] icosanoate

Manual Xrefs	Databases
HMDB0045485	HMDB
59654842	ChemSpider