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

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ChEBI Name 1,1ʼ,2-trilinoleoyl-2ʼ-palmitoyl cardiolipin
ChEBI ID CHEBI:84400
ChEBI ASCII Name 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C79H142O17P2
Net Charge 0
Average Mass 1425.91010
Monoisotopic Mass 1424.97223
InChI InChI=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
InChIKey PPNASYWUDWBRIL-CPPVQQPJSA-N
SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)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
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via cardiolipin )
(via phosphatidylglycerol )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via cardiolipin )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via cardiolipin )
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,1ʼ,2-trilinoleoyl-2ʼ-palmitoyl cardiolipin (CHEBI:84400) has functional parent hexadecanoic acid (CHEBI:15756)
1,1ʼ,2-trilinoleoyl-2ʼ-palmitoyl cardiolipin (CHEBI:84400) has functional parent linoleic acid (CHEBI:17351)
1,1ʼ,2-trilinoleoyl-2ʼ-palmitoyl cardiolipin (CHEBI:84400) is a cardiolipin (CHEBI:28494)
1,1ʼ,2-trilinoleoyl-2ʼ-palmitoyl cardiolipin (CHEBI:84400) is conjugate acid of 1,1ʼ,2-trilinoleoyl-2ʼ-palmitoyl cardiolipin(2−) (CHEBI:83583)
Incoming 1,1ʼ,2-trilinoleoyl-2ʼ-palmitoyl cardiolipin(2−) (CHEBI:83583) is conjugate base of 1,1ʼ,2-trilinoleoyl-2ʼ-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 Sources
1ʼ-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3ʼ-[1-(9Z,12Z-octadecadienoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol ChEBI
1ʼ-[1,2-dilinoleoyl-sn-glycero-3-phospho]-3ʼ-[1-linoleoyl-2-palmitoyl-sn-glycero-3-phospho]-glycerol ChEBI
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0) HMDB
Manual Xref Database
HMDB0010244 HMDB
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Last Modified
20 January 2015