In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019B2W |
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Common Name | PGP(18:2(9Z,11Z)/12:0) |
Systematic Name | 1-(9Z,11Z-octadecadienoyl)-2-dodecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol- 3'-phosphate) |
Synonyms | PGP(30:2); PGP(12:0_18:2) |
Exact Mass | |
Formula | C36H68O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | RLPKJLNPOBNXHO-FEEZTBHPSA-N |
InChI | InChI=1S/C36H68O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-35(38)45-31- 34(49-36(39)28-26-24-22-19-12-10-8-6-4-2)32-48-51(43,44)47-30-33(37)29-46-50(40, 41)42/h13-16,33-34,37H,3-12,17-32H2,1-2H3,(H,43,44)(H2,40,41,42)/b14-13-,16-15-/ t33-,34+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C=C/CCC CCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |