CHEBI:186586 - CL(1'-[16:0/18:2(9Z,12Z)],3'-[16:0/16:0])

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ChEBI Name CL(1'-[16:0/18:2(9Z,12Z)],3'-[16:0/16:0])
ChEBI ID CHEBI:186586
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C75H142O17P2
Net Charge 0
Average Mass 1377.892
Monoisotopic Mass 1376.97223
InChI InChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h21,25,33-34,69-71,76H,5-20,22-24,26-32,35-68H2,1-4H3,(H,81,82)(H,83,84)/b25-21-,34-33-/t69-,70+,71+/m0/s1
InChIKey UMGKKHKOBCUCDP-JDVAIEAXSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)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'-[16:0/16:0]) (CHEBI:186586) is a cardiolipin (CHEBI:28494)
IUPAC Name
[(2R)-1-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual Xrefs Databases
74854725 ChemSpider
HMDB0056392 HMDB
LMGP12010115 LIPID MAPS
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