Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:44:34 UTC
Update Date2022-08-12 20:09:15 UTC
Metabolite IDMMDBc0055141
Metabolite Identification
Common Name1'-[1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho]-3'-[1-(9Z-octadecenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-glycerol
DescriptionBased on a literature review very few articles have been published on CHEBI:173222.
Structure
SynonymsNot Available
Molecular FormulaC79H144O17P2
Average Mass1427.953
Monoisotopic Mass1426.988974333
IUPAC Name(2R)-1-[(3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}-2-hydroxypropyl phosphono)oxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate
Traditional Name(2R)-1-[(3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}-2-hydroxypropyl phosphono)oxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)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/C79H146O17P2/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/h28,32-38,73-75,80H,5-27,29-31,39-72H2,1-4H3,(H,85,86)(H,87,88)/p-2/b32-28-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1
InChI KeyNSHXPPPROQLOLP-JCTFJLGASA-L