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CHEBI:62861 - tetrastearoyl cardiolipin

ChEBI IDCHEBI:62861
ChEBI Nametetrastearoyl cardiolipin
Stars
DefinitionA cardiolipin derivative in which all four of the phosphatidyl acyl groups are specified as stearoyl (octadecanoyl).
Last Modified6 September 2011
SubmitterSteve
DownloadsMolfile
FormulaC81H158O17P2
Net Charge0
Average Mass1466.086
Monoisotopic Mass1465.09743
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C81H158O17P2/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/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/t76-,77-/m1/s1
InChIKeyXVTUQDWPJJBEHJ-KZCWQMDCSA-N
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)
tetrastearoyl cardiolipin (CHEBI:62861) is a cardiolipin (CHEBI:28494)
IUPAC Names 
(21R,33R)-24,27,30-trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentacontane-21,33-diyl dioctadecanoate
1',3'-bis[1,2-bis(octadecanoyl)-sn-glycero-3-phospho]-sn-glycerol
Synonyms  Source
1,1'2,2'-tetrastearoylcardiolipinChEBI
tetra-dodecanoyl cardiolipinChEBI
1,1'2,2'-tetra-dodecanoylcardiolipinChEBI
tetrastearoylcardiolipinChEBI
1,1'2,2'-tetra-dodecanoyl cardiolipinChEBI
1,1'2,2'-tetrastearoyl cardiolipinChEBI
Registry NumbersSources
Reaxys:1900028Reaxys
Citations