CHEBI:186580 - CL(1'-[16:0/18:2(9Z,12Z)],3'-[16:0/18:1(9Z)])

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ChEBI Name CL(1'-[16:0/18:2(9Z,12Z)],3'-[16:0/18:1(9Z)])
ChEBI ID CHEBI:186580
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C77H144O17P2
Net Charge 0
Average Mass 1403.930
Monoisotopic Mass 1402.98788
InChI InChI=1S/C77H144O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h21,25,33-36,71-73,78H,5-20,22-24,26-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,35-33-,36-34-/t71-,72-,73-/m1/s1
InChIKey KGWFLVJITKGZPK-UPEULKHSSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(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'-[16:0/18:1(9Z)]) (CHEBI:186580) is a cardiolipin (CHEBI:28494)
IUPAC Name
[(2R)-1-hexadecanoyloxy-3-[[(2S)-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
Manual Xrefs Databases
74854964 ChemSpider
HMDB0056638 HMDB
LMGP12010117 LIPID MAPS
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