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CHEBI:176810 - (3R,5S)-2,3,5,6,7-pentahydro-1,4-thiazepine-3,5-dicarboxylate(1−)

ChEBI IDCHEBI:176810
ChEBI Name(3R,5S)-2,3,5,6,7-pentahydro-1,4-thiazepine-3,5-dicarboxylate(1−)
Stars
ASCII Name(3R,5S)-2,3,5,6,7-pentahydro-1,4-thiazepine-3,5-dicarboxylate(1-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC7H10NO4S
Net Charge-1
Average Mass204.227
Monoisotopic Mass204.03360
SMILESO=C([O-])[C@@H]1CCSC[C@@H](C(=O)[O-])[NH2+]1
InChIInChI=1S/C7H11NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/p-1/t4-,5-/m0/s1
InChIKeyIGBAFIMATACJON-WHFBIAKZSA-M
ChEBI Ontology
Outgoing Relation(s)
(3R,5S)-2,3,5,6,7-pentahydro-1,4-thiazepine-3,5-dicarboxylate(1−) (CHEBI:176810) is a dicarboxylic acid anion (CHEBI:35693)
Synonym  Source
CycTSUBMITTER
UniProt Name  Source
(3R,5S)-2,3,5,6,7-pentahydro-1,4-thiazepine-3,5-dicarboxylateUniProt
Citations