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

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ChEBI Name endo-1,4-beta-Xylanase
ChEBI ID CHEBI:173301
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H50N4O2
Net Charge +2
Average Mass 546.799
Monoisotopic Mass 546.39228
InChI InChI=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
InChIKey YERABYSOHUZTPQ-UHFFFAOYSA-P
SMILES O=C1C(NCCC[N+](CC2=CC=CC=C2)(CC)CC)=CC(=O)C(NCCC[N+](CC3=CC=CC=C3)(CC)CC)=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
9025 ChemSpider
HMDB0040436 HMDB
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Registry Number Type Source
7554-16-7 CAS Registry Number ChemIDplus