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1,6-anhydro-N-acetyl-beta-muramate

PropertiesImage
MNX_IDMNXM2453 Image of MNXM2453
referencechebi:58690
formulaC11H16NO7
global charge-1
mol weight274.249
InChIKeyZFEGYUMHFZOYIY-YVNCZSHWSA-M
InChIInChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/p-1/t4-,6-,7-,8-,9-,11-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O[C@H](C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1 Image of MNXM2453
SMILES (mnx)[CH3:1][C@H:4]([C:10](=[O:15])[OH:16])[O:18][C@@H:9]1[C@@H:7]([N:12]=[C:5]([CH3:2])[OH:13])[C@@H:11]2[O:17][CH2:3][C@H:6]([C@H:8]1[OH:14])[O:19]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58690
chebi:58690
ZFEGYUMHFZOYIY-YVNCZSHWSA-M 		1,6-anhydro-N-acetyl-beta-muramate
(2R)-2-{[(1R,2S,3R,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoate

sabiork.compound:28083
sabiorkM:28083
kegg.compound:C19769
keggC:C19769
ZFEGYUMHFZOYIY-YVNCZSHWSA-N 		1,6-Anhydro-N-acetyl-beta-muramate

seed.compound:cpd21015
seedM:cpd21015
ZFEGYUMHFZOYIY-YVNCZSHWSA-M 		1,6-Anhydro-N-acetyl-beta-muramate
1,6-anhMurNAc
1,6-anhydro-N-acetyl-beta-muramate

metacyc.compound:CPD0-882
metacycM:CPD0-882
ZFEGYUMHFZOYIY-YVNCZSHWSA-M 		1,6-anhydro-N-acetyl-beta-D-muramate
1,6-anhMurNAc
hmdb:HMDB0304012
ZFEGYUMHFZOYIY-YVNCZSHWSA-M 		1,6-anhydro-N-acetyl-beta-muramate
1,6-Anhydro-N-acetyl-b-muramate
1,6-Anhydro-N-acetyl-b-muramic acid
1,6-Anhydro-N-acetyl-beta-muramate
1,6-Anhydro-N-acetyl-beta-muramic acid
N-[(1R,2S,3R,4R,5R)-3-[(1R)-1-carboxyethoxy]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanecarboximidate

CHEBI:40666
chebi:40666
ZFEGYUMHFZOYIY-YVNCZSHWSA-N 		1,6-anhydro-N-acetyl-beta-muramic acid
(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid
(2R)-2-{[(1R,2S,3R,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid
1,6-anhMurNAc
1,6-anhydro-N-acetyl-muramic acid
1,6-anhydro-N-acetylmuramic acid
2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID

keggC:M_C19769
seedM:M_cpd21015 		secondary/obsolete/fantasy identifier