In-Silico Structure database (LMISSD)
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LM ID | LMGP05029ARP |
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Common Name | PGP(O-18:1(9Z)/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'- sn-glycerol-3'-phosphate) |
Synonyms | PGP(O-38:5); PGP(O-18:1/20:4) |
Exact Mass | |
Formula | C44H80O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | CNCJRVZQLYUPLP-PHROYSSPSA-N |
InChI | InChI=1S/C44H80O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(46) 56-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)40-52-37-35-33-31-29-27-25-23 -20-18-16-14-12-10-8-6-4-2/h13,15,17-20,22,24,28,30,42-43,45H,3-12,14,16,21,23,2 5-27,29,31-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b15-13+,19-17-,20-18-,24-22-,30-28- /t42-,43+/m0/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)( O)=O)COCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |