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CHEBI:84399 - 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin

ChEBI IDCHEBI:84399
ChEBI Name1,1',2-trilinoleoyl-2'-oleoyl cardiolipin
Stars
DefinitionA cardiolipin in which the phosphatidyl acyl groups at positions 1, 1' and 2 are specified as linoleoyl, while that at position 2' is specified as oleoyl.
Last Modified20 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC81H144O17P2
Net Charge0
Average Mass1451.974
Monoisotopic Mass1450.98788
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\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C81H144O17P2/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/h21-23,25-27,33-40,75-77,82H,5-20,24,28-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,40-36-/t75?,76-,77-/m1/s1
InChIKeyWSEKMBMSQDAXBT-NBWTYSCASA-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)
1,1',2-trilinoleoyl-2'-oleoyl cardiolipin (CHEBI:84399) has functional parent linoleic acid (CHEBI:17351)
1,1',2-trilinoleoyl-2'-oleoyl cardiolipin (CHEBI:84399) has functional parent oleic acid (CHEBI:16196)
1,1',2-trilinoleoyl-2'-oleoyl cardiolipin (CHEBI:84399) is a cardiolipin (CHEBI:28494)
1,1',2-trilinoleoyl-2'-oleoyl cardiolipin (CHEBI:84399) is conjugate acid of 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin(2−) (CHEBI:83582)
Incoming Relation(s)
1,1',2-trilinoleoyl-2'-oleoyl cardiolipin(2−) (CHEBI:83582) is conjugate base of 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin (CHEBI:84399)
IUPAC Name 
(2R,14R,25Z,28Z)-5,8,11-trihydroxy-14-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-[(9Z)-octadec-9-enoyloxy]-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriaconta-25,28-dien-1-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
1,1',2-trilinoleoyl-2'-oleoyl CLChEBI
1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-glycerolChEBI
1'-[1,2-dilinoleoyl-sn-glycero-3-phospho]-3'-[1-linoleoyl-2-oleoyl-sn-glycero-3-phospho]-glycerolChEBI
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))ChEBI
CL(18:2/18:2/18:2/18:1)ChEBI
Manual XrefsDatabases
HMDB0010247HMDB
Registry NumbersSources
Reaxys:20405884Reaxys