In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019AKC |
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Common Name | PGP(14:0/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-tetradecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(32:3); PGP(14:0_18:3) |
Exact Mass | |
Formula | C38H70O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | NFHRPJQMENGYNC-OMYPGVNNSA-N |
InChI | InChI=1S/C38H70O13P2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-38(41)51-36( 34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)33-47-37(40)29-27-25-23-21-19-14-12 -10-8-6-4-2/h11,13,16-17,20,22,35-36,39H,3-10,12,14-15,18-19,21,23-34H2,1-2H3,(H ,45,46)(H2,42,43,44)/b13-11-,17-16-,22-20-/t35-,36+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCC CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |