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CHEBI:104586 - tetrahexadecanoyl cardiolipin

ChEBI IDCHEBI:104586
ChEBI Nametetrahexadecanoyl cardiolipin
Stars
DefinitionA cardiolipin in which all four of the phosphatidyl acyl groups are specified as hexadecanoyl (pamitoyl).
Last Modified5 April 2016
DownloadsMolfile
FormulaC73H142O17P2
Net Charge0
Average Mass1353.870
Monoisotopic Mass1352.97223
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C73H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h67-69,74H,5-66H2,1-4H3,(H,79,80)(H,81,82)/t68-,69-/m1/s1
InChIKeyGRTNLBQYBYZCCM-ULKDXPJMSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Biological Roles:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
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).
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)
tetrahexadecanoyl cardiolipin (CHEBI:104586) has functional parent hexadecanoic acid (CHEBI:15756)
tetrahexadecanoyl cardiolipin (CHEBI:104586) has role Mycoplasma genitalium metabolite (CHEBI:131604)
tetrahexadecanoyl cardiolipin (CHEBI:104586) is a cardiolipin (CHEBI:28494)
IUPAC Names 
(19R,31R)-22,25,28-trihydroxy-16,22,28,34-tetraoxo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphanonatetracontane-19,31-diyl dihexadecanoate
1',3'-bis[1,2-bis(hexadecanoyl)-sn-glycero-3-phospho]-sn-glycerol
Synonyms  Source
tetrapalmitoyl cardiolipinChEBI
1,1',2,2'-tetrapalmitoyl cardiolipinChEBI
1,1',2,2'-tetrahexadecanoyl cardiolipinChEBI
cardiolipin (tetrahexadecanoyl, n-C16:0)MetaCyc
Cardiolipin(64:0)HMDB
CL(16:0/16:0/16:0/16:0)HMDB
Manual XrefsDatabases
CPD-12824MetaCyc
HMDB0056387HMDB
Registry NumbersSources
Reaxys:2321326Reaxys
Citations