In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AFF |
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Common Name | PA(12:0/4:0) |
Systematic Name | 1-dodecanoyl-2-butyryl-sn-glycero-3-phosphate |
Synonyms | PA(16:0); PA(12:0/4:0) |
Exact Mass | |
Formula | C19H37O8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | SPDRSGCYCCWSCR-QGZVFWFLSA-N |
InChI | InChI=1S/C19H37O8P/c1-3-5-6-7-8-9-10-11-12-14-18(20)25-15-17(16-26-28(22,23)24)2 7-19(21)13-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |