CHEBI:192194 - CL(8:0/10:0/10:0/11:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CL(8:0/10:0/10:0/11:0)
ChEBI ID CHEBI:192194
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H92O17P2
Net Charge 0
Average Mass 1003.195
Monoisotopic Mass 1002.58098
InChI InChI=1S/C48H92O17P2/c1-5-9-13-17-20-23-27-31-35-48(53)65-44(39-59-46(51)33-29-25-21-18-14-10-6-2)41-63-67(56,57)61-37-42(49)36-60-66(54,55)62-40-43(38-58-45(50)32-28-24-16-12-8-4)64-47(52)34-30-26-22-19-15-11-7-3/h42-44,49H,5-41H2,1-4H3,(H,54,55)(H,56,57)/t42-,43+,44+/m0/s1
InChIKey KILQRNSCYFLBOB-HHWNUHTHSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCC)COC(=O)CCCCCCCCC)(OC[C@@H](O)COP(OC[C@H](OC(=O)CCCCCCCCC)COC(=O)CCCCCCC)(O)=O)(O)=O
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). 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(8:0/10:0/10:0/11:0) (CHEBI:192194) is a cardiolipin (CHEBI:28494)
IUPAC Name
[(2R)-1-decanoyloxy-3-[[(2S)-3-[[(2R)-2-decanoyloxy-3-octanoyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] undecanoate
Manual Xrefs Databases
74879107 ChemSpider
HMDB0117428 HMDB
View more database links