In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019AUE |
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Common Name | CL(1'-[14:0/16:0],3'-[14:0/16:0]) |
Systematic Name | 1',3'-bis-[1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(60:0); CL(14:0_14:0_16:0_16:0) |
Exact Mass | |
Formula | C69H134O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | BGBQVFKTXCPAHL-WXQUPVAFSA-N |
InChI | InChI=1S/C69H134O17P2/c1-5-9-13-17-21-25-29-31-35-39-43-47-51-55-68(73)85-64(59- 79-66(71)53-49-45-41-37-33-27-23-19-15-11-7-3)61-83-87(75,76)81-57-63(70)58-82-8 8(77,78)84-62-65(60-80-67(72)54-50-46-42-38-34-28-24-20-16-12-8-4)86-69(74)56-52 -48-44-40-36-32-30-26-22-18-14-10-6-2/h63-65,70H,5-62H2,1-4H3,(H,75,76)(H,77,78) /t64-,65-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(O C[C@]([H])(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |