In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029AE9 |
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Common Name | PGP(O-16:0/17:2(9Z,12Z)) |
Systematic Name | 1-hexadecyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol- 3'-phosphate) |
Synonyms | PGP(O-33:2); PGP(O-16:0/17:2) |
Exact Mass | |
Formula | C39H76O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | JUKXWKJOYGRGBT-RZTQZAHISA-N |
InChI | InChI=1S/C39H76O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(41)51-38(36- 50-53(45,46)49-34-37(40)33-48-52(42,43)44)35-47-32-30-28-26-24-22-20-18-16-14-12 -10-8-6-4-2/h9,11,15,17,37-38,40H,3-8,10,12-14,16,18-36H2,1-2H3,(H,45,46)(H2,42, 43,44)/b11-9-,17-15-/t37-,38+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COC CCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |