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CHEBI:84581 - 1,2,2'-trilinoleoyl-,1'-monolysocardiolipin

ChEBI IDCHEBI:84581
ChEBI Name1,2,2'-trilinoleoyl-,1'-monolysocardiolipin
Stars
DefinitionA 1-monolysocardiolipin in which the remaining phosphatidyl acyl groups at positions 1, 2 and 2' are specified as linoleoyl.
Last Modified29 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC63H112O16P2
Net Charge0
Average Mass1187.521
Monoisotopic Mass1186.74256
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C63H112O16P2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-61(66)73-55-60(79-63(68)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)57-77-81(71,72)75-54-58(65)53-74-80(69,70)76-56-59(52-64)78-62(67)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,58-60,64-65H,4-15,22-24,31-57H2,1-3H3,(H,69,70)(H,71,72)/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-/t58?,59-,60-/m1/s1
InChIKeyXARGTWYFEICLKW-IXDQOWSYSA-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).
ChEBI Ontology
Outgoing Relation(s)
1,2,2'-trilinoleoyl-,1'-monolysocardiolipin (CHEBI:84581) has functional parent linoleic acid (CHEBI:17351)
1,2,2'-trilinoleoyl-,1'-monolysocardiolipin (CHEBI:84581) is a 1-monolysocardiolipin (CHEBI:65106)
1,2,2'-trilinoleoyl-,1'-monolysocardiolipin (CHEBI:84581) is conjugate acid of 1,2,2'-trilinoleoyl-1'-monolysocardiolipin(2−) (CHEBI:83714)
Incoming Relation(s)
1,2,2'-trilinoleoyl-1'-monolysocardiolipin(2−) (CHEBI:83714) is conjugate base of 1,2,2'-trilinoleoyl-,1'-monolysocardiolipin (CHEBI:84581)
IUPAC Name 
(6Z,9Z,21R,33R)-24,27,30,34-tetrahydroxy-21-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-24,30-dioxido-18-oxo-19,23,25,29,31-pentaoxa-24λ5,30λ5-diphosphatetratriaconta-6,9-dien-33-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]glycerolChEBI
1'-(1,2-dilinoleoyl-sn-glycero-3-phospho)-3'-(2-linoleoyl-sn-glycero-3-phospho)-glycerolChEBI
trilinoleoyl-1-MLCLChEBI