In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019AAT |
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Common Name | CL(1'-[14:0/14:0],3'-[14:1(9Z)/14:0]) |
Systematic Name | 1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2- tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(56:1); CL(14:0_14:0_14:0_14:1) |
Exact Mass | |
Formula | C65H124O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | PTMKCINBVBDAPT-HHCGXTBISA-N |
InChI | InChI=1S/C65H124O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64( 69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,7 4)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38 -34-30-26-22-18-14-10-6-2/h17,21,59-61,66H,5-16,18-20,22-58H2,1-4H3,(H,71,72)(H, 73,74)/b21-17-/t59-,60+,61+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[ C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |