CHEBI:197127 - CL(8:0/8:0/8:0/15:0)

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ChEBI Name CL(8:0/8:0/8:0/15:0)
ChEBI ID CHEBI:197127
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/c1-5-9-13-17-18-19-20-21-22-23-27-31-35-48(53)65-44(39-59-46(51)33-29-25-15-11-7-3)41-63-67(56,57)61-37-42(49)36-60-66(54,55)62-40-43(64-47(52)34-30-26-16-12-8-4)38-58-45(50)32-28-24-14-10-6-2/h42-44,49H,5-41H2,1-4H3,(H,54,55)(H,56,57)/t42-,43+,44+/m0/s1
InChIKey HOXKBUYHLXBKIC-HHWNUHTHSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC)(OC[C@@H](O)COP(OC[C@H](OC(=O)CCCCCCC)COC(=O)CCCCCCC)(O)=O)(O)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 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(8:0/8:0/8:0/15:0) (CHEBI:197127) is a cardiolipin (CHEBI:28494)
IUPAC Name
[(2R)-1-[[(2S)-3-[[(2R)-2,3-di(octanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] pentadecanoate
Manual Xrefs Databases
74878486 ChemSpider
HMDB0116807 HMDB
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