CHEBI:186590 - CL(1'-[16:0/18:2(9Z,12Z)],3'-[20:0/16:0])

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ChEBI Name CL(1'-[16:0/18:2(9Z,12Z)],3'-[20:0/16:0])
ChEBI ID CHEBI:186590
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C79H150O17P2
Net Charge 0
Average Mass 1434.000
Monoisotopic Mass 1433.03483
InChI InChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-41-44-48-52-56-60-64-77(82)90-70-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3)96-79(84)66-62-58-54-50-46-42-37-34-30-26-22-18-14-10-6-2/h22,26,34,37,73-75,80H,5-21,23-25,27-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,37-34-/t73-,74+,75+/m0/s1
InChIKey YYWWDCRPMZSIMG-TYGZTYOJSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H](O)COP(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)(O)=O
Metabolite of Species Details
Nitrosopumilus maritimus str. SCM1 (NCBI:txid436308) Found in cell culture (BTO:0000214). See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via cardiolipin )
(via phosphatidylglycerol )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via cardiolipin )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via cardiolipin )
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing CL(1'-[16:0/18:2(9Z,12Z)],3'-[20:0/16:0]) (CHEBI:186590) is a cardiolipin (CHEBI:28494)
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-[[(2S)-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropyl] icosanoate
Manual Xrefs Databases
113379587 ChemSpider
LMGP12010139 LIPID MAPS
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