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CHEBI:105685 - tetraoctadec-11-enoyl cardiolipin

ChEBI IDCHEBI:105685
ChEBI Nametetraoctadec-11-enoyl cardiolipin
Stars
DefinitionA cardiolipin in which all four of the phosphatidyl acyl groups are specified as octadec-11-enoyl.
Last Modified6 April 2016
DownloadsMolfile
FormulaC81H150O17P2
Net Charge0
Average Mass1458.022
Monoisotopic Mass1457.03483
SMILESCCCCCCC=CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC
InChIInChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,75-77,82H,5-24,33-74H2,1-4H3,(H,87,88)(H,89,90)/t75?,76-,77-/m1/s1
InChIKeyHSSSADMXQPKIEB-GXYAQEMJSA-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)
tetraoctadec-11-enoyl cardiolipin (CHEBI:105685) has role Mycoplasma genitalium metabolite (CHEBI:131604)
tetraoctadec-11-enoyl cardiolipin (CHEBI:105685) is a cardiolipin (CHEBI:28494)
IUPAC Name 
(21R,33R)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-7,46-diene-21,33-diyl dioctadec-11-enoate
Synonyms  Source
CL(18:1/18:1/18:1/18:1)ChEBI
cardiolipin (tetraoctadec-11-enoyl, n-C18:1)ChEBI
1,1',2,2'-tetraoctadec-11-enoyl cardiolipinChEBI
Citations