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CHEBI:84400 - 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin

ChEBI IDCHEBI:84400
ChEBI Name1,1',2-trilinoleoyl-2'-palmitoyl 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 palmitoyl.
Last Modified20 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC79H142O17P2
Net Charge0
Average Mass1425.936
Monoisotopic Mass1424.97223
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)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,73-75,80H,5-20,24,28-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
InChIKeyPPNASYWUDWBRIL-CPPVQQPJSA-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'-palmitoyl cardiolipin (CHEBI:84400) has functional parent hexadecanoic acid (CHEBI:15756)
1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin (CHEBI:84400) has functional parent linoleic acid (CHEBI:17351)
1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin (CHEBI:84400) is a cardiolipin (CHEBI:28494)
1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin (CHEBI:84400) is conjugate acid of 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin(2−) (CHEBI:83583)
Incoming Relation(s)
1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin(2−) (CHEBI:83583) is conjugate base of 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin (CHEBI:84400)
IUPAC Name 
(6Z,9Z,21R,33R,44Z,47Z)-24,27,30-trihydroxy-24,30-dioxido-18,36-dioxo-33-(palmitoyloxy)-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-6,9,44,47-tetraen-21-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
1'-[1,2-dilinoleoyl-sn-glycero-3-phospho]-3'-[1-linoleoyl-2-palmitoyl-sn-glycero-3-phospho]-glycerolChEBI
1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerolChEBI
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)HMDB
Manual XrefsDatabases
HMDB0010244HMDB