CHEBI:186578 - CL(1'-[20:4(5Z,8Z,11Z,14Z)/16:0],3'-[16:0/18:1(9Z)])

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ChEBI Name CL(1'-[20:4(5Z,8Z,11Z,14Z)/16:0],3'-[16:0/18:1(9Z)])
ChEBI ID CHEBI:186578
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C79H144O17P2
Net Charge 0
Average Mass 1427.952
Monoisotopic Mass 1426.98788
InChI InChI=1S/C79H144O17P2/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/h21,25,33-35,37-38,41,48,52,73-75,80H,5-20,22-24,26-32,36,39-40,42-47,49-51,53-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,35-33-,37-34-,41-38-,52-48-/t73-,74-,75-/m1/s1
InChIKey KSDMJCCCAZMDQB-ZMLIYOKISA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)COP(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)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'-[20:4(5Z,8Z,11Z,14Z)/16:0],3'-[16:0/18:1(9Z)]) (CHEBI:186578) is a cardiolipin (CHEBI:28494)
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-[[(2S)-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xrefs Databases
74855001 ChemSpider
HMDB0056675 HMDB
LMGP12011089 LIPID MAPS
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