In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201AX40 |
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Common Name | CL(1'-[20:4(5Z,8Z,11Z,14Z)/16:1(9Z)],3'-[16:0/14:0]) |
Systematic Name | 1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3- phospho],3'-[1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:5); CL(14:0_16:0_16:1_20:4) |
Exact Mass | |
Formula | C75H136O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | MWFNVBNAZBSPGS-MFXRGTTPSA-N |
InChI | InChI=1S/C75H136O17P2/c1-5-9-13-17-21-25-29-32-33-34-35-38-41-44-48-52-56-60-73( 78)86-66-71(92-75(80)62-58-54-50-46-42-37-31-27-23-19-15-11-7-3)68-90-94(83,84)8 8-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-39-28-24-20-16-12-8-4 )65-85-72(77)59-55-51-47-43-40-36-30-26-22-18-14-10-6-2/h21,25,27,31-33,35,38,44 ,48,69-71,76H,5-20,22-24,26,28-30,34,36-37,39-43,45-47,49-68H2,1-4H3,(H,81,82)(H ,83,84)/b25-21-,31-27-,33-32-,38-35-,48-44-/t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCC/C=C\C/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) |