CL(1'-[20:4(5Z,8Z,11Z,14Z)/18:0],3'-[18:1(9Z)/18:1(9Z)]) (CHEBI:186593)

CHEBI:186593 - CL(1'-[20:4(5Z,8Z,11Z,14Z)/18:0],3'-[18:1(9Z)/18:1(9Z)])

Formula	C83H150O17P2
Net Charge	0
Average Mass	1482.044
Monoisotopic Mass	1481.03483
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)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,33-35,37,39-40,42,44,52,56,77-79,84H,5-20,22-24,26-32,36,38,41,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,37-33-,39-34-,40-35-,44-42-,56-52-/t77-,78+,79+/m0/s1
InChIKey	QPBPWRXHZQOFIP-GLEKOJQNSA-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)/18:0],3'-[18:1(9Z)/18:1(9Z)]) (CHEBI:186593) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-3-[[(2S)-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate