In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019QQM |
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Common Name | CL(1'-[16:1(9Z)/16:0],3'-[14:1(9Z)/18:2(9Z,12Z)]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(9Z- tetradecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:4); CL(14:1_16:0_16:1_18:2) |
Exact Mass | |
Formula | C73H134O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | LACAVRYZOFMIIB-ZTGHTEOFSA-N |
InChI | InChI=1S/C73H134O17P2/c1-5-9-13-17-21-25-29-32-33-36-40-44-48-52-56-60-73(78)90- 68(63-83-70(75)57-53-49-45-41-37-28-24-20-16-12-8-4)65-87-91(79,80)85-61-67(74)6 2-86-92(81,82)88-66-69(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-84 -71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h20-21,24-26,30,32-33,67-69,74 H,5-19,22-23,27-29,31,34-66H2,1-4H3,(H,79,80)(H,81,82)/b24-20-,25-21-,30-26-,33- 32-/t67-,68+,69+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H]) COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |