In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019B9Q |
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Common Name | CL(1'-[14:0/18:3(6Z,9Z,12Z)],3'-[16:0/18:3(6Z,9Z,12Z)]) |
Systematic Name | 1'-[1-tetradecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1- hexadecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:6); CL(14:0_16:0_18:3_18:3) |
Exact Mass | |
Formula | C75H134O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | DTFKJWQSHUUHES-IHBXZHRISA-N |
InChI | InChI=1S/C75H134O17P2/c1-5-9-13-17-21-25-29-32-34-37-41-45-49-53-57-61-74(79)91- 70(65-85-72(77)59-55-51-47-43-39-28-24-20-16-12-8-4)67-89-93(81,82)87-63-69(76)6 4-88-94(83,84)90-68-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)92 -75(80)62-58-54-50-46-42-38-35-33-30-26-22-18-14-10-6-2/h21-22,25-26,32-35,41-42 ,45-46,69-71,76H,5-20,23-24,27-31,36-40,43-44,47-68H2,1-4H3,(H,81,82)(H,83,84)/b 25-21-,26-22-,34-32-,35-33-,45-41-,46-42-/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O )([H])COP(OC[C@]([H])(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(O )=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |