In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019VHK |
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Common Name | CL(1'-[18:0/14:0],3'-[16:0/18:0]) |
Systematic Name | 1'-[1-octadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2- octadecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(66:0); CL(14:0_16:0_18:0_18:0) |
Exact Mass | |
Formula | C75H146O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | DDRBNMBZHUZHGS-UMRXOVFLSA-N |
InChI | InChI=1S/C75H146O17P2/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/h69-71,76H,5-68H2,1-4H3, (H,81,82)(H,83,84)/t69-,70-,71-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP (OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |