In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019B0M |
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Common Name | PGP(18:2(9E,12E)/13:0) |
Systematic Name | 1-(9E,12E-octadecadienoyl)-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol- 3'-phosphate) |
Synonyms | PGP(31:2); PGP(13:0_18:2) |
Exact Mass | |
Formula | C37H70O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | GBLKTAUNSIRXOJ-IJBKWTSPSA-N |
InChI | InChI=1S/C37H70O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-36(39)46-32- 35(33-49-52(44,45)48-31-34(38)30-47-51(41,42)43)50-37(40)29-27-25-23-20-14-12-10 -8-6-4-2/h11,13,16-17,34-35,38H,3-10,12,14-15,18-33H2,1-2H3,(H,44,45)(H2,41,42,4 3)/b13-11+,17-16+/t34-,35+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C/C=C/ CCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |