In-Silico Structure database (LMISSD)
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LM ID | LMGP05029ABV |
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Common Name | PGP(O-14:0/22:5(7Z,10Z,13Z,16Z,19Z)) |
Systematic Name | 1-tetradecyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'- sn-glycerol-3'-phosphate) |
Synonyms | PGP(O-36:5); PGP(O-14:0/22:5) |
Exact Mass | |
Formula | C42H76O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | MSFWUXFZKDWCGN-JMKUMUJHSA-N |
InChI | InChI=1S/C42H76O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34- 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 -16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-24,40-41,43H,3-4,6,8-10,12,14-16, 19,22,25-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b7-5-,13-11-,18-17-,21-20-,24-23-/t40 -,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)C OP(O)(O)=O)COCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |