In-Silico Structure database (LMISSD)
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LM ID | LMGP05029ABN |
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Common Name | PGP(O-14:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-tetradecyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(O-34:4); PGP(O-14:0/20:4) |
Exact Mass | |
Formula | C40H74O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | BTZZLDHHCQLDDH-OUCWYUJFSA-N |
InChI | InChI=1S/C40H74O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-40(42) 52-39(37-51-54(46,47)50-35-38(41)34-49-53(43,44)45)36-48-33-31-29-27-25-23-16-14 -12-10-8-6-4-2/h7,9,13,15,18-19,21-22,38-39,41H,3-6,8,10-12,14,16-17,20,23-37H2, 1-2H3,(H,46,47)(H2,43,44,45)/b9-7+,15-13+,19-18+,22-21+/t38-,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O) (O)=O)COCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |