CL(1'-[18:0/18:2(9Z,12Z)],3'-[20:0/16:0]) (CHEBI:186595)

CHEBI:186595 - CL(1'-[18:0/18:2(9Z,12Z)],3'-[20:0/16:0])

Formula	C81H154O17P2
Net Charge	0
Average Mass	1462.054
Monoisotopic Mass	1461.06613
SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C81H154O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h23,27,35,39,75-77,82H,5-22,24-26,28-34,36-38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b27-23-,39-35-/t75-,76+,77+/m0/s1
InChIKey	DDSVLLSMEPEWHA-LYIPOKJSSA-N

Species of Metabolite	Component	Source	Comments
Nitrosopumilus maritimus str. SCM1 (ncbitaxon:436308)	cell culture (BTO:0000214)	MetaboLights (MTBLS3714)

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(1'-[18:0/18:2(9Z,12Z)],3'-[20:0/16:0]) (CHEBI:186595) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] icosanoate

Manual Xrefs	Databases
LMGP12010355	LIPID MAPS
113379756	ChemSpider