MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

N-acetyl-beta-D-glucosaminylamine

	Properties	Image
MNX_ID	MNXM3313
reference	chebi:15947
formula	C₈H₁₆N₂O₅
global charge	0
mol weight	220.225
InChIKey	MCGXOCXFFNKASF-FMDGEEDCSA-N
InChI	InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
SMILES	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N

MNX internals

InChI (mnx)	InChI=1/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
SMILES (mnx)	[CH3:1][C:3](=[N:10][C@@H:5]1[C@@H:7]([OH:14])[C@H:6]([OH:13])[C@@H:4]([CH2:2][OH:11])[O:15][C@H:8]1[NH2:9])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15947 chebi:15947 MCGXOCXFFNKASF-FMDGEEDCSA-N	N-acetyl-beta-D-glucosaminylamine 2-acetamido-2-deoxy-beta-D-glucopyranosylamine N-Acetyl-beta-D-glucosaminylamine
vmhM:M02521 vmhmetabolite:M02521 MCGXOCXFFNKASF-FMDGEEDCSA-N	N-Acetyl-Beta-D-Glucosaminylamine N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
hmdb:HMDB0001104 MCGXOCXFFNKASF-FMDGEEDCSA-N	N-Acetyl-b-glucosaminylamine N-Acetyl-b-D-glucosaminylamine N-Acetyl-beta-D-glucosaminylamine N-Acetyl-beta-delta-glucosaminylamine N-Acetyl-beta-glucosaminylamine N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide N-acetyl-beta-D-glucosaminylamine
sabiork.compound:5466 sabiorkM:5466 kegg.compound:C01239 keggC:C01239 MCGXOCXFFNKASF-FMDGEEDCSA-N	N-Acetyl-beta-D-glucosaminylamine
seed.compound:cpd00912 seedM:cpd00912 MCGXOCXFFNKASF-FMDGEEDCSA-N	N-Acetyl-beta-D-glucosaminylamine N-acetyl-beta-glucosaminylamine
metacyc.compound:N-ACETYL-BETA-GLUCOSAMINYLAMINE metacycM:N-ACETYL-BETA-GLUCOSAMINYLAMINE MCGXOCXFFNKASF-FMDGEEDCSA-N	N-acetyl-beta-glucosaminylamine
hmdb:HMDB0011755 hmdb:HMDB01104 hmdb:HMDB11755 chebi:12448 chebi:21594 chebi:7182 keggC:M_C01239 seedM:M_cpd00912 vmhM:M_M02521	secondary/obsolete/fantasy identifier