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CHEBI:5977 - Isatidine

ChEBI IDCHEBI:5977
ChEBI NameIsatidine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H25NO7
Net Charge0
Average Mass367.398
Monoisotopic Mass367.16310
SMILES[H][C@]12C3=CCN1(=O)CC[C@H]2OC(=O)/C(=C\C)C[C@@H](C)[C@](O)(CO)C(=O)OC3
InChIInChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1
InChIKeyIDIMIWQPUHURPV-WTWIWYCDSA-N
ChEBI Ontology
Outgoing Relation(s)
Isatidine (CHEBI:5977) is a citraconoyl group (CHEBI:23315)
Synonyms  Source
IsatidineKEGG COMPOUND
Retrorsine N-oxideKEGG COMPOUND
Manual XrefsDatabases
C10333KEGG COMPOUND
C00002094KNApSAcK
Registry NumbersSources
CAS:15503-86-3KEGG COMPOUND