In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029AH7 |
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Common Name | PGP(O-16:1(11Z)/20:1(11E)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(11E-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'- phosphate) |
Synonyms | PGP(O-36:2); PGP(O-16:1/20:1) |
Exact Mass | |
Formula | C42H82O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | XQSTUTMHCJMLFX-ORCZIKGKSA-N |
InChI | InChI=1S/C42H82O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(44) 54-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)38-50-35-33-31-29-27-25-23-18 -16-14-12-10-8-6-4-2/h10,12,17,19,40-41,43H,3-9,11,13-16,18,20-39H2,1-2H3,(H,48, 49)(H2,45,46,47)/b12-10-,19-17+/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC/C=C/CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COC CCCCCCCCC/C=C\CCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |