In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019A4G |
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Common Name | PGP(17:2(9Z,12Z)/15:1(9Z)) |
Systematic Name | 1-(9Z,12Z-heptadecadienoyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(32:3); PGP(15:1_17:2) |
Exact Mass | |
Formula | C38H70O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | KFKSMAOCRSAVTA-KKDHLMPGSA-N |
InChI | InChI=1S/C38H70O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-37(40)47-33-36( 34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-19-16-14-12 -10-8-6-4-2/h9,11-12,14-15,17,35-36,39H,3-8,10,13,16,18-34H2,1-2H3,(H,45,46)(H2, 42,43,44)/b11-9-,14-12-,17-15-/t35-,36+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C /C=C\CCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |