CHEBI:5977 - Isatidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isatidine
ChEBI ID CHEBI:5977
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H25NO7
Net Charge 0
Average Mass 367.394
Monoisotopic Mass 367.16310
InChI InChI=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
InChIKey IDIMIWQPUHURPV-WTWIWYCDSA-N
SMILES C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3(=O)CC[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing Isatidine (CHEBI:5977) is a citraconoyl group (CHEBI:23315)
Synonyms Sources
Isatidine KEGG COMPOUND
Retrorsine N-oxide KEGG COMPOUND
Manual Xrefs Databases
C00002094 KNApSAcK
C10333 KEGG COMPOUND
View more database links
Registry Number Type Source
15503-86-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014