In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019AXL |
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Common Name | CL(1'-[14:0/16:0],3'-[18:2(9Z,12Z)/16:1(9Z)]) |
Systematic Name | 1'-[1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(9Z,12Z- octadecadienoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:3); CL(14:0_16:0_16:1_18:2) |
Exact Mass | |
Formula | C73H136O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | MPFWFVRXEWCRPJ-DEXIFOPBSA-N |
InChI | InChI=1S/C73H136O17P2/c1-5-9-13-17-21-25-29-32-33-36-38-42-46-50-54-58-71(76)84- 64-69(90-73(78)60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)66-88-92(81,82)86-62-6 7(74)61-85-91(79,80)87-65-68(63-83-70(75)57-53-49-45-41-37-28-24-20-16-12-8-4)89 -72(77)59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21,25,27,31-33,67-69,74H,5-20 ,22-24,26,28-30,34-66H2,1-4H3,(H,79,80)(H,81,82)/b25-21-,31-27-,33-32-/t67-,68-, 69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(O C[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |