In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019RDP |
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Common Name | CL(1'-[16:1(9Z)/18:0],3'-[18:3(6Z,9Z,12Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1-(6Z,9Z,12Z- octadecatrienoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:5); CL(14:1_16:1_18:0_18:3) |
Exact Mass | |
Formula | C75H136O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | SYQVIYDTPQWWNC-OPDBQXGZSA-N |
InChI | InChI=1S/C75H136O17P2/c1-5-9-13-17-21-25-29-32-34-37-41-44-48-52-56-60-73(78)86- 65-70(91-74(79)61-57-53-49-45-39-28-24-20-16-12-8-4)67-89-93(81,82)87-63-69(76)6 4-88-94(83,84)90-68-71(66-85-72(77)59-55-51-47-43-40-36-31-27-23-19-15-11-7-3)92 -75(80)62-58-54-50-46-42-38-35-33-30-26-22-18-14-10-6-2/h20-21,24-25,27,31-32,34 ,41,44,69-71,76H,5-19,22-23,26,28-30,33,35-40,42-43,45-68H2,1-4H3,(H,81,82)(H,83 ,84)/b24-20-,25-21-,31-27-,34-32-,44-41-/t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H ])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)=O )=O |
MS Spectra | - |
Status | Active (generated by computational methods) |