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CHEBI:92961 - 3-nitropropanoic acid [(2R,3R,4S,5R,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester

ChEBI IDCHEBI:92961
ChEBI Name3-nitropropanoic acid [(2R,3R,4S,5R,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester
Stars
DownloadsMolfile
FormulaC18H24N4O18
Net Charge0
Average Mass584.400
Monoisotopic Mass584.10856
SMILESO=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](O)[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](OC(=O)CC[N+](=O)[O-])[C@@H]1OC(=O)CC[N+](=O)[O-]
InChIInChI=1S/C18H24N4O18/c23-11(1-5-19(28)29)36-9-10-15(38-12(24)2-6-20(30)31)16(39-13(25)3-7-21(32)33)17(18(27)37-10)40-14(26)4-8-22(34)35/h10,15-18,27H,1-9H2/t10-,15-,16+,17-,18-/m1/s1
InChIKeyJMPKPWBLQUWFHQ-LUAGPVBASA-N
ChEBI Ontology
Outgoing Relation(s)
3-nitropropanoic acid [(2R,3R,4S,5R,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester (CHEBI:92961) has functional parent tetracarboxylic acid (CHEBI:35742)
3-nitropropanoic acid [(2R,3R,4S,5R,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester (CHEBI:92961) is a organooxygen compound (CHEBI:36963)
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