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CHEBI:173301 - endo-1,4-beta-Xylanase

ChEBI IDCHEBI:173301
ChEBI Nameendo-1,4-beta-Xylanase
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50N4O2
Net Charge+2
Average Mass546.800
Monoisotopic Mass546.39228
SMILESCC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1
InChIInChI=1S/C34H48N4O2/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3/p+2
InChIKeyYERABYSOHUZTPQ-UHFFFAOYSA-P
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
endo-1,4-beta-Xylanase (CHEBI:173301) is a aromatic amine (CHEBI:33860)
IUPAC Name 
benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium
Manual XrefsDatabases
HMDB0040436HMDB
9025ChemSpider
Registry NumbersSources
CAS:7554-16-7ChemIDplus