In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201ACEU |
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Common Name | CL(1'-[18:3(6Z,9Z,12Z)/14:1(9Z)],3'-[16:0/14:0]) |
Systematic Name | 1'-[1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho], 3'-[1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:4); CL(14:0_14:1_16:0_18:3) |
Exact Mass | |
Formula | C71H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | VXHSCBXFHAGFAV-ZDNBWPNBSA-N |
InChI | InChI=1S/C71H130O17P2/c1-5-9-13-17-21-25-29-31-32-34-38-40-44-48-52-56-69(74)82- 62-67(88-71(76)58-54-50-46-42-36-28-24-20-16-12-8-4)64-86-90(79,80)84-60-65(72)5 9-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-35-27-23-19-15-11-7-3)61-81-68(73 )55-51-47-43-39-37-33-30-26-22-18-14-10-6-2/h20-21,24-25,31-32,38,40,65-67,72H,5 -19,22-23,26-30,33-37,39,41-64H2,1-4H3,(H,77,78)(H,79,80)/b24-20-,25-21-,32-31-, 40-38-/t65-,66+,67+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=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)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |