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CHEBI:104873 - tetrahexadec-9-enoyl cardiolipin

ChEBI IDCHEBI:104873
ChEBI Nametetrahexadec-9-enoyl cardiolipin
Stars
DefinitionA cardiolipin in which all four of the phosphatidyl acyl groups are specified as hexadec-9-enoyl
Last Modified5 April 2016
DownloadsMolfile
FormulaC73H134O17P2
Net Charge0
Average Mass1345.806
Monoisotopic Mass1344.90963
SMILESCCCCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC
InChIInChI=1S/C73H134O17P2/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/h25-32,67-69,74H,5-24,33-66H2,1-4H3,(H,79,80)(H,81,82)/t67?,68-,69-/m1/s1
InChIKeyUYSHBKYVDAZLKJ-GMUISZSCSA-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)
tetrahexadec-9-enoyl cardiolipin (CHEBI:104873) has role Mycoplasma genitalium metabolite (CHEBI:131604)
tetrahexadec-9-enoyl cardiolipin (CHEBI:104873) is a cardiolipin (CHEBI:28494)
IUPAC Name 
(19R,31R)-22,25,28-trihydroxy-16,22,28,34-tetraoxo-17,21,23,27,29,33-hexaoxa-22λ5,28λ5-diphosphanonatetraconta-7,42-diene-19,31-diyl dihexadec-9-enoate
Synonyms  Source
cardiolipin (tetrahexadec-9-enoyl, n-C16:1)ChEBI
1,1',2,2'-tetrahexadec-9-enoyl cardiolipinChEBI
CL(16:1/16:1/16:1/16:1)ChEBI
1',3'-bis[1,2-bis(hexadec-9-enoyl)-sn-glycero-3-phospho]-sn-glycerolChEBI
Citations