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N,N'-diacetylchitobiose

PropertiesImage
MNX_IDMNXM1106005 Image of MNXM1106005
referencechebi:28681
formulaC16H28N2O11
global charge0
mol weight424.403
InChIKeyCDOJPCSDOXYJJF-CBTAGEKQSA-N
InChIInChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1 Image of MNXM1106005
SMILES (mnx)[CH3:1][C:5](=[N:17][C@@H:9]1[C@@H:13]([OH:25])[C@H:14]([O:29][C@H:16]2[C@H:10]([N:18]=[C:6]([CH3:2])[OH:22])[C@@H:12]([OH:24])[C@H:11]([OH:23])[C@@H:7]([CH2:3][OH:19])[O:28]2)[C@@H:8]([CH2:4][OH:20])[O:27][CH:15]1[OH:26])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)30
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28681
chebi:28681
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		N,N'-diacetylchitobiose
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-D-glucopyranose
Chitobiose
Diacetylchitobiose
N,N'-Diacetylchitobiose
WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1

bigg.metabolite:HC00822
biggM:HC00822
sabiork.compound:5722
sabiorkM:5722
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		Chitobiose

seed.compound:cpd01157
seedM:cpd01157
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		Chitobiose
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranose
CBS
CHITOBIOSE
Diacetylchitobiose
N,N'-Diacetylchitobiose
N,N'-diacetylchitobiose
N-[2-[5-acetylamino-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihyrdoxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
chitob
chitobiose
diacetylchitobiose

kegg.compound:C01674
keggC:C01674
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		Chitobiose
Diacetylchitobiose
N,N'-Diacetylchitobiose

vmhM:HC00822
vmhmetabolite:HC00822
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		Chitobiose
[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid

sabiork.compound:30047
sabiorkM:30047
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		N,N'-Diacetylchitobiose
hmdb:HMDB0062702
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		N,N'-diacetylchitobiose
(GlcNAc)2
Bis(N-acetyl)chitobiose
Chitobiose
Di-N-acetylchitobiose
Diacetylchitobiose
N,N'-diacetylchitobioside
N,N-Diacetylchitobiose
N,N-diacetylchitobiose
N-[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

metacyc.compound:CHITOBIOSE
metacycM:CHITOBIOSE
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		N,N'-diacetylchitobiose
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranose
CBS
N-[2-[5-acetylamino-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihyrdoxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
chitobiose
diacetylchitobiose

vmhM:chtbs
vmhmetabolite:chtbs
CDOJPCSDOXYJJF-CBTAGEKQSA-N 		N,N-diacetylchitobiose
[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid

hmdb:HMDB62702
chebi:3597
chebi:701011
biggM:M_HC00822
keggC:M_C01674
seedM:M_cpd01157
vmhM:M_HC00822
vmhM:M_chtbs 		secondary/obsolete/fantasy identifier