CHEBI:143508 - (3R,4S,5S,6S)-2-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]-3,4,5-trihydroxy-1,2-oxazinane-6-carboxylic acid

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ChEBI Name (3R,4S,5S,6S)-2-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]-3,4,5-trihydroxy-1,2-oxazinane-6-carboxylic acid
ChEBI ID CHEBI:143508
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
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Formula C14H13Cl2N5O6
Net Charge 0
Average Mass 418.189
Monoisotopic Mass 417.024
InChI InChI=1S/C14H13Cl2N5O6/c15-5-3-1-2-4(6(5)16)7-11(18-14(17)20-19-7)21-12(24)9(23)8(22)10(27-21)13(25)26/h1-3,8-10,12,22-24H,(H,25,26)(H2,17,18,20)/t8-,9-,10-,12+/m1/s1
InChIKey QLCGXHZKVNPGKQ-BFLSOPEQSA-N
SMILES ClC1=C(Cl)C=CC=C1C2=NN=C(N)N=C2N3O[C@@H](C(=O)O)[C@H](O)[C@H]([C@@H]3O)O
ChEBI Ontology
Outgoing (3R,4S,5S,6S)-2-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]-3,4,5-trihydroxy-1,2-oxazinane-6-carboxylic acid (CHEBI:143508) is a N-glycosyl compound (CHEBI:21731)