CL(8:0/8:0/11:0/14:0) (CHEBI:230907)

CHEBI:230907 - CL(8:0/8:0/11:0/14:0)

Formula	C50H96O17P2
Net Charge	0
Average Mass	1031.249
Monoisotopic Mass	1030.61227
SMILES	CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI	InChI=1S/C50H96O17P2/c1-5-9-13-17-19-21-22-23-25-29-33-37-50(55)67-46(41-61-48(53)35-31-28-24-20-18-14-10-6-2)43-65-69(58,59)63-39-44(51)38-62-68(56,57)64-42-45(66-49(54)36-32-27-16-12-8-4)40-60-47(52)34-30-26-15-11-7-3/h44-46,51H,5-43H2,1-4H3,(H,56,57)(H,58,59)/t44-,45+,46+/m0/s1
InChIKey	PONMTCBDEZLZBR-VURFOUDESA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

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(8:0/8:0/11:0/14:0) (CHEBI:230907) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-1-[[(2S)-3-[[(2R)-2,3-di(octanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] tetradecanoate

Manual Xrefs	Databases
HMDB0116872	HMDB
74878551	ChemSpider