In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019FW3 |
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Common Name | CL(1'-[14:1(9Z)/14:1(9Z)],3'-[18:0/18:1(9Z)]) |
Systematic Name | 1'-[1-2-di-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-(9Z- octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:3); CL(14:1_14:1_18:0_18:1) |
Exact Mass | |
Formula | C73H136O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | MUAFLVUYGLANEN-HGSVFLLNSA-N |
InChI | InChI=1S/C73H136O17P2/c1-5-9-13-17-21-25-29-31-33-35-39-42-46-50-54-58-71(76)84- 64-69(90-73(78)60-56-52-48-44-40-36-34-32-30-26-22-18-14-10-6-2)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/h19-20,23-24,32,34,67-69,74H,5 -18,21-22,25-31,33,35-66H2,1-4H3,(H,79,80)(H,81,82)/b23-19-,24-20-,34-32-/t67-,6 8-,69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H])C OP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |