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N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid

PropertiesImage
MNX_IDMNXM3060 Image of MNXM3060
referencebiggM:anhgm
formulaC19H29N2O12
global charge-1
mol weight477.443
InChIKeyVWOAYOXNDDJRIH-UHFFFAOYSA-M
InChIInChI=1S/C19H30N2O12/c1-7(18(28)29)31-16-10(20-8(2)24)6-30-12(5-23)17(16)33-19-13(21-9(3)25)15(27)14(26)11(4-22)32-19/h6-7,11-17,19,22-23,26-27H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)/p-1
SMILESCC(=O)NC1=COC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1OC(C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C19H30N2O12/c1-7(18(28)29)31-16-10(20-8(2)24)6-30-12(5-23)17(16)33-19-13(21-9(3)25)15(27)14(26)11(4-22)32-19/h6-7,11-17,19,22-23,26-27H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)/t7?,11?,12?,13?,14?,15?,16?,17?,19? Image of MNXM3060
SMILES (mnx)[CH3:1][CH:7]([C:18](=[O:28])[OH:29])[O:31][CH:16]1[C:10]([N:20]=[C:8]([CH3:2])[OH:24])=[CH:6][O:30][CH:12]([CH2:5][OH:23])[CH:17]1[O:33][CH:19]1[CH:13]([N:21]=[C:9]([CH3:3])[OH:25])[CH:15]([OH:27])[CH:14]([OH:26])[CH:11]([CH2:4][OH:22])[O:32]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:anhgm
biggM:anhgm
VWOAYOXNDDJRIH-UHFFFAOYSA-M
N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid

seed.compound:cpd15396
seedM:cpd15396
N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid
anhgm

biggM:M_anhgm
seedM:M_cpd15396
secondary/obsolete/fantasy identifier