CL(10:0/10:0/10:0/11:0) (CHEBI:231064)

CHEBI:231064 - CL(10:0/10:0/10:0/11:0)

Formula	C50H96O17P2
Net Charge	0
Average Mass	1031.249
Monoisotopic Mass	1030.61227
SMILES	CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
InChI	InChI=1S/C50H96O17P2/c1-5-9-13-17-21-25-29-33-37-50(55)67-46(41-61-48(53)35-31-27-23-19-15-11-7-3)43-65-69(58,59)63-39-44(51)38-62-68(56,57)64-42-45(66-49(54)36-32-28-24-20-16-12-8-4)40-60-47(52)34-30-26-22-18-14-10-6-2/h44-46,51H,5-43H2,1-4H3,(H,56,57)(H,58,59)/t44-,45+,46+/m0/s1
InChIKey	VURLKPDAWPGRIG-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(10:0/10:0/10:0/11:0) (CHEBI:231064) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-1-decanoyloxy-3-[[(2S)-3-[[(2R)-2,3-di(decanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] undecanoate

Manual Xrefs	Databases
74886192	ChemSpider
HMDB0124561	HMDB