GlcNAc-Mal
(2S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
Molecular Identity
GlcNAc-Mal
(2S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
PubChem CID: 57339291
(S)-malyl N-acetyl-alpha-D-glucosaminide is an N-acetyl-alpha-D-glucosaminide having (S)-malyl as the anomeric substituent. It is functionally related to a (S)-malic acid. It is a conjugate acid of a (S)-malyl N-acetyl-alpha-D-glucosaminide(2-).
2D Structure
Properties
C12H19NO10
Molecular Formula
337.28
Molecular Weight
g/mol
337.1009
Exact Mass
Da
-2.9
XLogP
Drug-like (Lipinski: < 5)
183
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
455
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
GlcNAc-Malalpha-D-GlcNAc-L-Malmalyl-N-acetyl-D-glucosamine(S)-malyl N-acetyl-alpha-D-glucosaminideCHEBI:64882(2S)-2-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]butanedioic acid(2S)-2-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]succinic acid(2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid(2S)-2-((2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy)butanedioic acid(2S)-2-((2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy)succinic acidRefChem:70493GMTSCHEMBL29351959LMFA13010059Q27133511
Data from PubChem (NCBI)
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