CHEBI:3692 - Cibarian

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cibarian
ChEBI ID CHEBI:3692
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H18N2O12
Net Charge 0
Average Mass 382.278
Monoisotopic Mass 382.08597
InChI InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(19)12(25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1
InChIKey PUSAAHYGRLPDMQ-JPXBYFMYSA-N
SMILES O[C@H]1[C@H](O)[C@@H](COC(=O)CC[N+]([O-])=O)O[C@@H](OC(=O)CC[N+]([O-])=O)[C@@H]1O
ChEBI Ontology
Outgoing Cibarian (CHEBI:3692) is a glycoside (CHEBI:24400)
Synonyms Sources
beta-D-Glucopyranose, 1,6-bis(3-nitropropanoate) KEGG COMPOUND
Cibarian KEGG COMPOUND
Manual Xrefs Databases
C00001531 KNApSAcK
C08473 KEGG COMPOUND
View more database links
Registry Number Type Source
39797-90-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014