In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019B9V |
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Common Name | PGP(18:3(9Z,12Z,15Z)/14:0) |
Systematic Name | 1-(9Z,12Z,15Z-octadecatrienoyl)-2-tetradecanoyl-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 | AJUHNONFHGDBIQ-UVZRWLGFSA-N |
InChI | InChI=1S/C38H70O13P2/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-37(40)47-33- 36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-19-14-12 -10-8-6-4-2/h5,7,11,13,16-17,35-36,39H,3-4,6,8-10,12,14-15,18-34H2,1-2H3,(H,45,4 6)(H2,42,43,44)/b7-5-,13-11-,17-16-/t35-,36+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C \C/C=C\CC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |