In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019ABL |
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Common Name | CL(1'-[14:0/14:0],3'-[16:0/20:0]) |
Systematic Name | 1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-eicosanoyl- sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:0); CL(14:0_14:0_16:0_20:0) |
Exact Mass | |
Formula | C73H142O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | BNTPSCVOJWYAJX-SHBPMHELSA-N |
InChI | InChI=1S/C73H142O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-36-40-44-48-52-56-60-73( 78)90-69(64-84-71(76)58-54-50-46-42-39-35-30-26-22-18-14-10-6-2)66-88-92(81,82)8 6-62-67(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-38-28-24-20-16-12-8-4 )63-83-70(75)57-53-49-45-41-37-27-23-19-15-11-7-3/h67-69,74H,5-66H2,1-4H3,(H,79, 80)(H,81,82)/t67-,68-,69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[ C@]([H])(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |