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(S)-malyl N-acetyl-alpha-D-glucosaminide

MNXM164803 is deprecated and replaced by MNXM12189
PropertiesImage
MNX_IDMNXM12189 Image of MNXM12189
referencechebi:64870
formulaC12H17NO10
global charge-2
mol weight335.265
InChIKeyCOBMRTSHZAUOCY-BVKYVCSXSA-L
InChIInChI=1S/C12H19NO10/c1-4(15)13-8-10(19)9(18)6(3-14)23-12(8)22-5(11(20)21)2-7(16)17/h5-6,8-10,12,14,18-19H,2-3H2,1H3,(H,13,15)(H,16,17)(H,20,21)/p-2/t5-,6+,8+,9+,10+,12-/m0/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)[O-])C(=O)[O-])O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C12H19NO10/c1-4(15)13-8-10(19)9(18)6(3-14)23-12(8)22-5(11(20)21)2-7(16)17/h5-6,8-10,12,14,18-19H,2-3H2,1H3,(H,13,15)(H,16,17)(H,20,21)/t5-,6+,8+,9+,10+,12-/m0/s1 Image of MNXM12189
SMILES (mnx)[CH3:1][C:4](=[N:13][C@@H:8]1[C@@H:10]([OH:19])[C@H:9]([OH:18])[C@@H:6]([CH2:3][OH:14])[O:23][C@@H:12]1[O:22][C@@H:5]([CH2:2][C:7](=[O:16])[OH:17])[C:11](=[O:20])[OH:21])[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64870
chebi:64870
COBMRTSHZAUOCY-BVKYVCSXSA-L 		(S)-malyl N-acetyl-alpha-D-glucosaminide
(2S)-2-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]butanedioate
(S)-malyl N-acetyl-alpha-D-glucosaminide(2-)
GlcNAc-Mal(2-)
malyl N-acetyl-alpha-D-glucosaminide(2-)
malyl-N-acetyl-D-glucosamine

CHEBI:64882
chebi:64882
lipidmaps:LMFA13010059
lipidmapsM:LMFA13010059
COBMRTSHZAUOCY-BVKYVCSXSA-N 		(S)-malyl N-acetyl-alpha-D-glucosaminide
(2S)-2-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]butanedioic acid
(2S)-2-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]succinic acid
GlcNAc-Mal
alpha-D-GlcNAc-L-Mal
malyl-N-acetyl-D-glucosamine

metacyc.compound:CPD8J2-1
metacycM:CPD8J2-1
COBMRTSHZAUOCY-BVKYVCSXSA-L 		(S)-malyl N-acetyl-alpha-D-glucosaminide
GlcNAc-Mal

seed.compound:cpd26617
seedM:cpd26617
COBMRTSHZAUOCY-BVKYVCSXSA-L 		GlcNAc-Mal
(S)-malyl N-acetyl-alpha-D-glucosaminide
malyl-N-acetyl-D-glucosamine

seedM:M_cpd26617 		secondary/obsolete/fantasy identifier