Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:44:39 UTC
Update Date2022-08-12 20:09:15 UTC
Metabolite IDMMDBc0055144
Metabolite Identification
Common Name1'-[1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho]-3'-[1-(9Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
Descriptiontrioleoyl 2-monolysocardiolipin(2-) belongs to the class of organic compounds known as glycerophosphoglycerophosphoglycerols. These are glycerophospholipids that contain three glycerol moieties sequentially linked to each other with a phosphate group. They include cardiolipins. Based on a literature review a significant number of articles have been published on trioleoyl 2-monolysocardiolipin(2-).
Structure
Synonyms
ValueSource
1'-[1,2-Di(9Z)-octadecenoyl-sn-glycero-3-phospho]-3'-[1-(9Z)-octadecenoyl-sn-glycero-3-phospho]glycerol(2-)ChEBI
1'-[1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho]-3'-[1-(9Z-octadecenoyl)-sn-glycero-3-phospho]-glycerolChEBI
Trioleyl lysocardiolipin(2-)ChEBI
Molecular FormulaC63H116O16P2
Average Mass1191.554
Monoisotopic Mass1190.774958811
IUPAC Name(2R)-3-[(3-{[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}-2-hydroxypropyl phosphono)oxy]-2-hydroxypropyl (9Z)-octadec-9-enoate
Traditional Name(2R)-3-[(3-{[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}-2-hydroxypropyl phosphono)oxy]-2-hydroxypropyl (9Z)-octadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC([H])(O)COP([O-])(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC
InChI Identifier
InChI=1S/C63H118O16P2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-61(66)73-52-58(64)53-75-80(69,70)76-54-59(65)55-77-81(71,72)78-57-60(79-63(68)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-74-62(67)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,58-60,64-65H,4-24,31-57H2,1-3H3,(H,69,70)(H,71,72)/p-2/b28-25-,29-26-,30-27-/t58-,59?,60-/m1/s1
InChI KeyNGKFXJNJRVPYMN-IYJDKBLTSA-L