In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201ACYD |
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Common Name | CL(1'-[18:3(6Z,9Z,12Z)/16:1(9Z)],3'-[14:1(9Z)/14:0]) |
Systematic Name | 1'-[1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho], 3'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:5); CL(14:0_14:1_16:1_18:3) |
Exact Mass | |
Formula | C71H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | PXRDKKBIZDNDCE-JVGPBOADSA-N |
InChI | InChI=1S/C71H128O17P2/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/h19,21,23,25-26,30-32,37,40,65-67,72 H,5-18,20,22,24,27-29,33-36,38-39,41-64H2,1-4H3,(H,77,78)(H,79,80)/b23-19-,25-21 -,30-26-,32-31-,40-37-/t65-,66+,67+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=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) |