In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019A44 |
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Common Name | CL(1'-[14:0/16:1(9Z)],3'-[14:1(9Z)/18:3(9Z,12Z,15Z)]) |
Systematic Name | 1'-[1-tetradecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z- tetradecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(62:5); CL(14:0_14:1_16:1_18:3) |
Exact Mass | |
Formula | C71H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | BPOZZBQCCCPFLP-ITGWDILMSA-N |
InChI | InChI=1S/C71H128O17P2/c1-5-9-13-17-21-25-29-31-32-34-38-42-46-50-54-58-71(76)88- 67(62-82-69(74)56-52-48-44-40-36-28-24-20-16-12-8-4)64-86-90(79,80)84-60-65(72)5 9-83-89(77,78)85-63-66(61-81-68(73)55-51-47-43-39-35-27-23-19-15-11-7-3)87-70(75 )57-53-49-45-41-37-33-30-26-22-18-14-10-6-2/h9,13,20-21,24-26,30-32,65-67,72H,5- 8,10-12,14-19,22-23,27-29,33-64H2,1-4H3,(H,77,78)(H,79,80)/b13-9-,24-20-,25-21-, 30-26-,32-31-/t65-,66-,67-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])CO P(OC[C@]([H])(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |