CHEBI:4484 - Dialdehyde 11678

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dialdehyde 11678
ChEBI ID CHEBI:4484
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24N2O4
Net Charge 0
Average Mass 368.427
Monoisotopic Mass 368.17361
InChI InChI=1S/C21H24N2O4/c1-3-13(11-24)16(17(12-25)21(26)27-2)10-19-20-15(8-9-22-19)14-6-4-5-7-18(14)23-20/h3-7,11-13,16,19,22-23,25H,1,8-10H2,2H3/b17-12-/t13-,16-,19-/m0/s1
InChIKey ZNZYKNKBJPZETN-WELNAUFTSA-N
SMILES COC(=O)C(=C/O)\[C@@H](C[C@@H]1NCCc2c1[nH]c1ccccc21)[C@@H](C=C)C=O
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 alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Dialdehyde 11678 (CHEBI:4484) is a harmala alkaloid (CHEBI:61379)
Synonym Source
Dialdehyde KEGG COMPOUND
Manual Xref Database
C11678 KEGG COMPOUND
View more database links
Registry Number Type Source
85955-83-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014