In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029A8W |
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Common Name | PGP(O-22:1(9Z)/11:0) |
Systematic Name | 1-(9Z-docosenyl)-2-undecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'- phosphate) |
Synonyms | PGP(O-33:1); PGP(O-22:1/11:0) |
Exact Mass | |
Formula | C39H78O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | QFYHVJDCJIOXAN-GRNQRAIESA-N |
InChI | InChI=1S/C39H78O12P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30- 32-47-35-38(51-39(41)31-29-27-25-12-10-8-6-4-2)36-50-53(45,46)49-34-37(40)33-48- 52(42,43)44/h19-20,37-38,40H,3-18,21-36H2,1-2H3,(H,45,46)(H2,42,43,44)/b20-19-/t 37-,38+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\ CCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |