CHEBI:61065 - N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranoside

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ChEBI Name N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranoside
ChEBI ID CHEBI:61065
ChEBI ASCII Name N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-beta-D-glucopyranoside
Definition An aminoglycoside composed of glucose deoxygenated at C-4 and C-6 and having benzyloxycarbonyl (Z)-protected aminoethyl, methyl and 3-hydroxy-3-methylbutanamido substituents at positions 1, 2 and 4, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H34N2O8
Net Charge 0
Average Mass 454.51400
Monoisotopic Mass 454.23152
InChI InChI=1S/C22H34N2O8/c1-14-17(24-16(25)12-22(2,3)28)18(26)19(29-4)20(32-14)30-11-10-23-21(27)31-13-15-8-6-5-7-9-15/h5-9,14,17-20,26,28H,10-13H2,1-4H3,(H,23,27)(H,24,25)/t14-,17-,18+,19-,20+/m1/s1
InChIKey XNRMJGHVUFTXMK-QSWMPLQWSA-N
SMILES CO[C@@H]1[C@@H](O)[C@H](NC(=O)CC(C)(C)O)[C@@H](C)O[C@@H]1OCCNC(=O)OCc1ccccc1
ChEBI Ontology
Outgoing N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranoside (CHEBI:61065) is a aminoglycoside (CHEBI:47779)
N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranoside (CHEBI:61065) is a carbamate ester (CHEBI:23003)
IUPAC Name
benzyl [2-({4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-α-D-glucopyranosyl}oxy)ethyl]carbamate
Synonym Source
N-benzyloxycarbonylaminoethyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucoside ChEBI
Citation Waiting for Citations Type Source
18155682 PubMed citation Europe PMC
Last Modified
29 November 2012
General Comment
2011-02-28 Although the compound has gluco-configuration, it was synthesised using D-galactose as a starting meterial with inversion of configuration at C-4 as one of the key steps. Hence D-galactose has been assigned as the functional parent.