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CHEBI:185267 - 1-O,3-O-Bis(1-O,2-O-dioctanoyl-L-glycero-3-phospho)-L-glycerol

ChEBI IDCHEBI:185267
ChEBI Name1-O,3-O-Bis(1-O,2-O-dioctanoyl-L-glycero-3-phospho)-L-glycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H78O17P2
Net Charge0
Average Mass905.006
Monoisotopic Mass904.47142
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC
InChIInChI=1S/C41H78O17P2/c1-5-9-13-17-21-25-38(43)51-31-36(57-40(45)27-23-19-15-11-7-3)33-55-59(47,48)53-29-35(42)30-54-60(49,50)56-34-37(58-41(46)28-24-20-16-12-8-4)32-52-39(44)26-22-18-14-10-6-2/h35-37,42H,5-34H2,1-4H3,(H,47,48)(H,49,50)/t36-,37-/m1/s1
InChIKeyPVSPUBLWCTXHDH-FZNHDDJXSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-O,3-O-Bis(1-O,2-O-dioctanoyl-L-glycero-3-phospho)-L-glycerol (CHEBI:185267) is a cardiolipin (CHEBI:28494)
IUPAC Name 
[(2R)-3-[[3-[[(2R)-2,3-di(octanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
Manual XrefsDatabases
HMDB0116797HMDB
61716199ChemSpider