In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019BO6 |
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Common Name | PGP(18:1(9E)/15:0) |
Systematic Name | 1-(9E-octadecenoyl)-2-pentadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'- phosphate) |
Synonyms | PGP(33:1); PGP(15:0_18:1) |
Exact Mass | |
Formula | C39H76O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | AIMLPIUEIQKALN-WQVXFSBISA-N |
InChI | InChI=1S/C39H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-38(41)48-34- 37(35-51-54(46,47)50-33-36(40)32-49-53(43,44)45)52-39(42)31-29-27-25-23-20-16-14 -12-10-8-6-4-2/h17-18,36-37,40H,3-16,19-35H2,1-2H3,(H,46,47)(H2,43,44,45)/b18-17 +/t36-,37+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/CCCC CCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |