CL(1'-[18:2(9Z,12Z)/16:0],3'-[18:2(9Z,12Z)/18:1(9Z)]) (CHEBI:186576)

CHEBI:186576 - CL(1'-[18:2(9Z,12Z)/16:0],3'-[18:2(9Z,12Z)/18:1(9Z)])

Formula	C79H144O17P2
Net Charge	0
Average Mass	1427.952
Monoisotopic Mass	1426.98788
SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI	InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-38,73-75,80H,5-20,23-24,27-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,26-22-,36-33-,37-34-,38-35-/t73-,74-,75-/m1/s1
InChIKey	LRSGEGOMBAPEEA-CSNDORGWSA-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'-[18:2(9Z,12Z)/16:0],3'-[18:2(9Z,12Z)/18:1(9Z)]) (CHEBI:186576) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-1-[[(2R)-3-[[(2R)-2-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate