In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019B92 |
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Common Name | CL(1'-[14:0/18:3(6Z,9Z,12Z)],3'-[16:1(9Z)/14:0]) |
Systematic Name | 1'-[1-tetradecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1- (9Z-hexadecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:4); CL(14:0_14:0_16:1_18:3) |
Exact Mass | |
Formula | C71H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | HLQXMBXFFXFKOL-HGZINYOCSA-N |
InChI | InChI=1S/C71H130O17P2/c1-5-9-13-17-21-25-29-31-32-34-38-42-46-50-54-58-71(76)88- 67(61-81-68(73)55-51-47-43-39-35-27-23-19-15-11-7-3)64-86-90(79,80)84-60-65(72)5 9-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-36-28-24-20-16-12-8-4)62-82-69(74 )56-52-48-44-40-37-33-30-26-22-18-14-10-6-2/h21,25-26,30-32,38,42,65-67,72H,5-20 ,22-24,27-29,33-37,39-41,43-64H2,1-4H3,(H,77,78)(H,79,80)/b25-21-,30-26-,32-31-, 42-38-/t65-,66+,67+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O )([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |