2-Acetamido-N-β-aspartyl-2-deoxyhexopyranosylamine

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Systematic / IUPAC Name: 2-Acetamido-N-ß-aspartyl-2-deoxyhexopyranosylamine

ID: Reference516

Other Names: N-(2-Acetylamino)-2-deoxy-β-δ-glucopyranosyl-L-asparagine;
N4-(β-N-Acetyl-D-glucosaminyl)-L-asparagine;
Asparaginylglucosamine;
Aspartylglucosamine;
N4-(Acetyl-β-D-glucosaminyl)asparagine ; more

Formula: C12H21N3O8

Spectral Data

2-Acetamido-N-β-aspartyl-2-deoxyhexopyranosylamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 401
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/30/2015 12:13:57 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1
InChI Key YTTRPBWEMMPYSW-HRRFRDKFSA-N
Canonical SMILES O=C(NC1OC(C(O)C(O)C1NC(=O)C)CO)CC(C(=O)O)N
CAS 2776934
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Other Names N-(2-Acetylamino)-2-deoxy-β-δ-glucopyranosyl-L-asparagine;
N4-(β-N-Acetyl-D-glucosaminyl)-L-asparagine;
Asparaginylglucosamine;
Aspartylglucosamine;
N4-(Acetyl-β-D-glucosaminyl)asparagine;
β-N-Acetylglucosaminyl-L-asparagine;
(N-Υ-(2-Acetamido-2-deoxy-β-δ-gluco-pyranosyl)-L-asparagine;
2-Acetamido-1-β-(L-aspartamido)-1,2-dideoxy-δ-glucose;
1-β-Aspartyl-N-acetyl-D-glucosaminylamine;
2-Acetamido-1-(β-L-aspartamido)-1,2-dideoxy-β-D-glucose;
2-Acetamido-N-L-β-aspartyl-2-deoxy-β-D-glucopyranosylamine;
Acetylglucosaminylasparagine;
N4-(β-N-Acetyl-D-glucosaminyl)-L-asparagine;
N-Acetylglucosaminylasparagine

In Other Databases

ChEBI CHEBI:17261; CHEBI:58080
HMDb HMDB01515; HMDB00489
ChemSpider 110370
KEGG C04540
PubChem 123826
ChemIDPlus 002776934
Wikipedia Aspartylglucosamine