In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019FOI |
---|---|
Common Name | CL(1'-[14:1(9Z)/14:0],3'-[18:3(6Z,9Z,12Z)/14:0]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(6Z,9Z, 12Z-octadecatrienoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(60:4); CL(14:0_14:0_14:1_18:3) |
Exact Mass | |
Formula | C69H126O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | OZYKWSZEOUZGLB-YWBPIDGQSA-N |
InChI | InChI=1S/C69H126O17P2/c1-5-9-13-17-21-25-29-30-31-32-36-38-42-46-50-54-67(72)80- 60-65(86-69(74)56-52-48-44-40-35-28-24-20-16-12-8-4)62-84-88(77,78)82-58-63(70)5 7-81-87(75,76)83-61-64(85-68(73)55-51-47-43-39-34-27-23-19-15-11-7-3)59-79-66(71 )53-49-45-41-37-33-26-22-18-14-10-6-2/h18,21-22,25,30-31,36,38,63-65,70H,5-17,19 -20,23-24,26-29,32-35,37,39-62H2,1-4H3,(H,75,76)(H,77,78)/b22-18-,25-21-,31-30-, 38-36-/t63-,64-,65-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H])COP( OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |