In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019INN |
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Common Name | CL(1'-[14:1(9Z)/20:4(5Z,8Z,11Z,14Z)],3'-[14:1(9Z)/14:0]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3- phospho],3'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(62:6); CL(14:0_14:1_14:1_20:4) |
Exact Mass | |
Formula | C71H126O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | ZCWHGNVLKDFEDV-YAEZGASDSA-N |
InChI | InChI=1S/C71H126O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-38-42-46-50-54-58-71( 76)88-67(62-82-69(74)56-52-48-44-40-36-27-23-19-15-11-7-3)64-86-90(79,80)84-60-6 5(72)59-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-37-28-24-20-16-12-8-4)61-81 -68(73)55-51-47-43-39-35-26-22-18-14-10-6-2/h18-19,21-23,25,30-31,33-34,42,46,65 -67,72H,5-17,20,24,26-29,32,35-41,43-45,47-64H2,1-4H3,(H,77,78)(H,79,80)/b22-18- ,23-19-,25-21-,31-30-,34-33-,46-42-/t65-,66+,67+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=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) |