In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201BIGI |
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Common Name | CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/14:0],3'-[14:1(9Z)/14:0]) |
Systematic Name | 1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-tetradecanoyl-sn-glycero-3- phospho],3'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(64:6); CL(14:0_14:0_14:1_22:5) |
Exact Mass | |
Formula | C73H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | XRUWUXRMWCNMON-PKPDFGPZSA-N |
InChI | InChI=1S/C73H130O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-35-36-40-42-46-50-54- 58-71(76)84-64-69(90-73(78)60-56-52-48-44-39-28-24-20-16-12-8-4)66-88-92(81,82)8 6-62-67(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-38-27-23-19-15-11-7-3 )63-83-70(75)57-53-49-45-41-37-26-22-18-14-10-6-2/h18,21-22,25,30-31,33-34,36,40 ,46,50,67-69,74H,5-17,19-20,23-24,26-29,32,35,37-39,41-45,47-49,51-66H2,1-4H3,(H ,79,80)(H,81,82)/b22-18-,25-21-,31-30-,34-33-,40-36-,50-46-/t67-,68+,69+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CC/C=C\C/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)CCCCCCC/C=C\CCCC)(O)= O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |