CL(16:0/18:1(11Z)/18:0/18:0) (CHEBI:180833)

CHEBI:180833 - CL(16:0/18:1(11Z)/18:0/18:0)

Formula	C79H152O17P2
Net Charge	0
Average Mass	1436.016
Monoisotopic Mass	1435.05048
SMILES	CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1S/C79H152O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h26,30,73-75,80H,5-25,27-29,31-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-/t73-,74+,75+/m0/s1
InChIKey	QPRAOEKWCRSHKJ-HKUNFGDVSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood serum (BTO:0000133)	MetaboLights (MTBLS2150)

Roles Classification

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	CL(16:0/18:1(11Z)/18:0/18:0) (CHEBI:180833) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-3-[[(2R)-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

Manual Xrefs	Databases
74854917	ChemSpider
HMDB0056588	HMDB