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

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N-acetyl-D-glucosamine

	Properties	Image
MNX_ID	MNXM1105935
reference	chebi:506227
formula	C₈H₁₅NO₆
global charge	0
mol weight	221.209
InChIKey	OVRNDRQMDRJTHS-RTRLPJTCSA-N
InChI	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1
SMILES	CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1
SMILES (mnx)	[CH3:1][C:3](=[N:9][C@@H:5]1[C@@H:7]([OH:13])[C@H:6]([OH:12])[C@@H:4]([CH2:2][OH:10])[O:15][CH:8]1[OH:14])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	151
in models (compartimentalized)	100

Similar chemical compounds in external resources
Identifier	Description
CHEBI:506227 chebi:506227 OVRNDRQMDRJTHS-RTRLPJTCSA-N	N-acetyl-D-glucosamine 2-Acetamido-2-deoxy-D-glucose 2-acetamido-2-deoxy-D-glucopyranose GlcNAc N-Acetyl-D-glucosamine N-Acetylchitosamine WURCS=2.0/1,1,0/[a2122h-1x_1-5_2*NCC/3=O]/1/
bigg.metabolite:acgam biggM:acgam OVRNDRQMDRJTHS-RTRLPJTCSA-N	N-Acetyl-D-glucosamine
hmdb:HMDB0000215 OVRNDRQMDRJTHS-RTRLPJTCSA-N	N-Acetyl-D-glucosamine 2 Acetamido 2 deoxy D glucose 2 Acetamido 2 deoxyglucose 2-(Acetylamino)-2-deoxyhexose 2-Acetamido-2-deoxy-D-glucopyranose 2-Acetamido-2-deoxy-D-glucose 2-Acetamido-2-deoxyglucose 2-Acetamido-D-glucose 2-Acetylamino-2-deoxy-D-glucose Acetylglucosamine GlcNAc N Acetyl D glucosamine N-Acetylchitosamine N-Acetylglucosamine N-[(3R,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
kegg.compound:C00140 keggC:C00140 OVRNDRQMDRJTHS-RTRLPJTCSA-N	N-Acetyl-D-glucosamine 2-Acetamido-2-deoxy-D-glucose GlcNAc N-Acetylchitosamine
seed.compound:cpd00122 seedM:cpd00122 OVRNDRQMDRJTHS-RTRLPJTCSA-N	N-Acetyl-D-glucosamine 2-Acetamido-2-deoxy-D-glucose GlcNAc N-Acetylchitosamine acgam
seed.compound:cpd02006 seedM:cpd02006 kegg.compound:C03136 keggC:C03136 OVRNDRQMDRJTHS-BKJPEWSUSA-N	N-Acetyl-D-hexosamine
seed.compound:cpd27608 seedM:cpd27608 OVRNDRQMDRJTHS-RTRLPJTCSA-N	N-acetyl-D-glucosamine 2-Acetamido-2-deoxy-D-glucose GlcNAc N-Acetyl-D-glucosamine N-Acetylchitosamine
metacyc.compound:N-acetyl-D-glucosamine metacycM:N-acetyl-D-glucosamine OVRNDRQMDRJTHS-RTRLPJTCSA-N	N-acetyl-D-glucosamine 2-acetamido-2-deoxy-D-glucose GlcNAc N-acetylglucosamine
vmhM:acgam vmhmetabolite:acgam OVRNDRQMDRJTHS-RTRLPJTCSA-N	N-acetyl-D-glucosamine N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
seed.compound:cpd27610 seedM:cpd27610 OVRNDRQMDRJTHS-BKJPEWSUSA-N	N-acetyl-D-hexosamines
CHEBI:21601 chebi:21601 OVRNDRQMDRJTHS-BKJPEWSUSA-N	N-acetyl-D-hexosamine N-acetyl-D-hexosamines N-acetylhexosamine N-acetylhexosamines
metacyc.compound:N-acetyl-D-hexosamines metacycM:N-acetyl-D-hexosamines OVRNDRQMDRJTHS-BKJPEWSUSA-N	an N-acetyl-D-hexosamine
hmdb:HMDB0000533 hmdb:HMDB0014288 hmdb:HMDB00215 hmdb:HMDB00533 hmdb:HMDB14288 biggM:M_acgam keggC:M_C00140 keggC:M_C03136 seedM:M_cpd00122 seedM:M_cpd02006 seedM:M_cpd27608 seedM:M_cpd27610 vmhM:M_acgam	secondary/obsolete/fantasy identifier