CHEBI:9717 - Triglochinin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Triglochinin
ChEBI ID CHEBI:9717
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H17NO10
Net Charge 0
Average Mass 359.286
Monoisotopic Mass 359.08525
InChI InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11-,12+,13-,14-/m1/s1
InChIKey LABCALMTQNDOAI-PKNBYVPASA-N
SMILES OC[C@H]1O[C@@H](O\C(C#N)=C(CC(O)=O)\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing Triglochinin (CHEBI:9717) is a cyanogenic glycoside (CHEBI:23436)
Synonyms Sources
2-Hexenedioic acid,4-(cyano(beta-D-glucopyranosyloxy)methylene)-, (E,Z)- KEGG COMPOUND
Triglochinin KEGG COMPOUND
Manual Xrefs Databases
C00001457 KNApSAcK
C08342 KEGG COMPOUND
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Registry Number Type Source
28876-11-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014