TG(59:6) (CHEBI:189622)

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CHEBI:189622 - TG(59:6)

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ChEBI ID	CHEBI:189622
ChEBI Name	TG(59:6)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C62H108O6
Net Charge	0
Average Mass	949.540
Monoisotopic Mass	948.81459
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC
InChI	InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,35,38,44,47,59H,4-15,18,21-24,27,30-34,36-37,39-43,45-46,48-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,38-35-,47-44-/t59-/m1/s1
InChIKey	IFPAVYIZSLWUFC-DMQOTLTRSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)
	liver (BTO:0000759)	MetaboLights (MTBLS1887)
	heart (BTO:0000562)	MetaboLights (MTBLS1887)
	serum (BTO:0000133)	MetaboLights (MTBLS1887)

ChEBI Ontology

Outgoing Relation(s)
	TG(59:6) (CHEBI:189622) is a triglyceride (CHEBI:17855)

IUPAC Name
[(2R)-3-heptadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate

Manual Xrefs	Databases
7824349	ChemSpider
LMGL03011438	LIPID MAPS