CL(1'-[20:4(5Z,8Z,11Z,14Z)/20:0],3'-[18:0/16:0]) (CHEBI:186596)

CHEBI:186596 - CL(1'-[20:4(5Z,8Z,11Z,14Z)/20:0],3'-[18:0/16:0])

Formula	C83H154O17P2
Net Charge	0
Average Mass	1486.076
Monoisotopic Mass	1485.06613
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C83H154O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21,25,33,36,41,45,52,56,77-79,84H,5-20,22-24,26-32,34-35,37-40,42-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,36-33-,45-41-,56-52-/t77-,78+,79+/m0/s1
InChIKey	LAKMTMSPIDVXHN-JDJPQAHYSA-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'-[20:4(5Z,8Z,11Z,14Z)/20:0],3'-[18:0/16:0]) (CHEBI:186596) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-1-[[(2S)-3-[[(2R)-2-hexadecanoyloxy-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] icosanoate

Manual Xrefs	Databases
113380364	ChemSpider
LMGP12011237	LIPID MAPS