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CHEBI:84398 - tetralinoleoyl cardiolipin

ChEBI IDCHEBI:84398
ChEBI Nametetralinoleoyl cardiolipin
Stars
DefinitionA cardiolipin in which all four phosphatidyl acyl groups are specified as linoleoyl.
Last Modified20 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC81H142O17P2
Net Charge0
Average Mass1449.958
Monoisotopic Mass1448.97223
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C81H142O17P2/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/h21-28,33-40,75-77,82H,5-20,29-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1
InChIKeyLSHJMDWWJIYXEM-XGJIDDIWSA-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)
tetralinoleoyl cardiolipin (CHEBI:84398) has functional parent linoleic acid (CHEBI:17351)
tetralinoleoyl cardiolipin (CHEBI:84398) is a cardiolipin (CHEBI:28494)
tetralinoleoyl cardiolipin (CHEBI:84398) is conjugate acid of tetralinoleoyl cardiolipin(2−) (CHEBI:83581)
Incoming Relation(s)
tetralinoleoyl cardiolipin(2−) (CHEBI:83581) is conjugate base of tetralinoleoyl cardiolipin (CHEBI:84398)
IUPAC Name 
(6Z,9Z,21R,33R,44Z,47Z)-24,27,30-trihydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44,47-tetraene-21,33-diyl (9Z,12Z,9'Z,12'Z)bis-octadeca-9,12-dienoate
Synonyms  Source
1,1',2,2'-tetra-(9Z,12Z)-octadecadienoyl cardiolipinChEBI
1',3'-bis-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerolChEBI
1'-[1,2-dilinoleoyl-sn-glycero-3-phospho]-3'-[1,2-dilinoleoyl-sn-glycero-3-phospho]-glycerolChEBI
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))ChEBI
Registry NumbersSources
Reaxys:20348300Reaxys
Citations