EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42441 - (7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid

Default Structure
ChEBI IDCHEBI:42441
ChEBI Name(7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
Stars
ASCII Name(7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H10N4O3S
Net Charge0
Average Mass266.282
Monoisotopic Mass266.04736
SMILES[H]OC(=O)C1=C([H])S[C@]([H])(c2nnn(C([H])([H])[H])c2[H])C(C([H])=O)=C([H])N1[H]
InChIInChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1
InChIKeyBCPHJDLBOJMWOD-VIFPVBQESA-N
ChEBI Ontology
Outgoing Relation(s)
(7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid (CHEBI:42441) is a thiazepinemonocarboxylic acid (CHEBI:48895)
(7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid (CHEBI:42441) is a triazoles (CHEBI:35727)
Synonyms  Source
(7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACIDPDBeChem
(7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acidPDBeChem
Manual XrefsDatabases
FDTPDBeChem