CL(1'-[16:0/18:2(9Z,12Z)],3'-[16:0/16:0]) (CHEBI:186586)

CHEBI:186586 - CL(1'-[16:0/18:2(9Z,12Z)],3'-[16:0/16:0])

Formula	C75H142O17P2
Net Charge	0
Average Mass	1377.892
Monoisotopic Mass	1376.97223
SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h21,25,33-34,69-71,76H,5-20,22-24,26-32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b25-21-,34-33-/t69-,70+,71+/m0/s1
InChIKey	UMGKKHKOBCUCDP-JDVAIEAXSA-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'-[16:0/18:2(9Z,12Z)],3'-[16:0/16:0]) (CHEBI:186586) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-1-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate