In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019A18 |
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Common Name | PGP(17:1(9Z)/16:1(9Z)) |
Systematic Name | 1-(9Z-heptadecenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol- 3'-phosphate) |
Synonyms | PGP(33:2); PGP(16:1_17:1) |
Exact Mass | |
Formula | C39H74O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | HHXKYNQZXBRWIA-MQBWKQMVSA-N |
InChI | InChI=1S/C39H74O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-38(41)48-34-37( 35-51-54(46,47)50-33-36(40)32-49-53(43,44)45)52-39(42)31-29-27-25-23-21-18-16-14 -12-10-8-6-4-2/h14-17,36-37,40H,3-13,18-35H2,1-2H3,(H,46,47)(H2,43,44,45)/b16-14 -,17-15-/t36-,37+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C\ CCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |