CL(1'-[18:1(9Z)/20:4(5Z,8Z,11Z,14Z)],3'-[18:2(9Z,12Z)/18:0]) (CHEBI:186587)

CHEBI:186587 - CL(1'-[18:1(9Z)/20:4(5Z,8Z,11Z,14Z)],3'-[18:2(9Z,12Z)/18:0])

Formula	C83H148O17P2
Net Charge	0
Average Mass	1480.028
Monoisotopic Mass	1479.01918
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-35,37,39-40,42,46,54,58,77-79,84H,5-20,23-24,27-32,36,38,41,43-45,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,37-33-,39-34-,40-35-,46-42-,58-54-/t77-,78+,79+/m0/s1
InChIKey	UBGYVOJAJFOLGP-BKQOJSDASA-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'-[18:1(9Z)/20:4(5Z,8Z,11Z,14Z)],3'-[18:2(9Z,12Z)/18:0]) (CHEBI:186587) is a cardiolipin (CHEBI:28494)

IUPAC Name
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Manual Xrefs	Databases
113379945	ChemSpider
LMGP12010638	LIPID MAPS