In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019ACH |
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Common Name | CL(1'-[14:0/14:0],3'-[18:0/16:1(9Z)]) |
Systematic Name | 1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-(9Z- hexadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:1); CL(14:0_14:0_16:1_18:0) |
Exact Mass | |
Formula | C71H136O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | TWTCKOWFDFESOB-HXZTVISLSA-N |
InChI | InChI=1S/C71H136O17P2/c1-5-9-13-17-21-25-29-31-32-34-37-40-44-48-52-56-69(74)82- 62-67(88-71(76)58-54-50-46-42-38-33-30-26-22-18-14-10-6-2)64-86-90(79,80)84-60-6 5(72)59-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-36-28-24-20-16-12-8-4)61-81 -68(73)55-51-47-43-39-35-27-23-19-15-11-7-3/h26,30,65-67,72H,5-25,27-29,31-64H2, 1-4H3,(H,77,78)(H,79,80)/b30-26-/t65-,66-,67-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[ C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |