N-acetyl-beta-muramic acid (Q140289)

Dictionary of Natural Products

part of

peptidoglycan

1 reference

Dictionary of Natural Products

chemical structure

N-Acetylmuramic acid.svg
415 × 274; 8 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

293.111 dalton

1 reference

BETA-N-ACETYLMURAMIC ACID (English)

19 October 2016

stereoisomer of

N-acetyl-α-muramic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₁H₁₉NO₈

1 reference

BETA-N-ACETYLMURAMIC ACID (English)

19 October 2016

canonical SMILES

CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C

1 reference

BETA-N-ACETYLMURAMIC ACID (English)

19 October 2016

isomeric SMILES

C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C

1 reference

BETA-N-ACETYLMURAMIC ACID (English)

InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

BETA-N-ACETYLMURAMIC ACID (English)

MNLRQHMNZILYPY-YVNCZSHWSA-N

19 October 2016

InChIKey

2 references

BETA-N-ACETYLMURAMIC ACID (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=10597-89-4

ChEBI release 2020-09-01

CAS Registry Number

10597-89-4

1 reference

reference URL

1 reference

2-Acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose (English)

19 October 2016

2 references

BETA-N-ACETYLMURAMIC ACID (English)

matched by identifier from

19 October 2016

InChIKey

MNLRQHMNZILYPY-YVNCZSHWSA-N

Reaxys registry number

6373636

1 reference

N-acetyl-beta-muramic acid (English)

19 October 2016

ChEBI ID

40729

mapping relation type

2 references

N-acetyl-beta-muramic acid (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1

1 reference

0 references

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.031.092

27 December 2018

ECHA Substance Infocard ID

(R)-2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-D-glucose (English)

quotation

CAS no.: 10597-89-4 (English)

100.031.092

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.031.092

27 December 2018

matched by identifier from

(R)-2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-D-glucose (English)

quotation

CAS no.: 10597-89-4 (English)

UNII

246FXU111L

0 references

TQ9990Q808

1 reference

InChIKey

MNLRQHMNZILYPY-YVNCZSHWSA-N

0 references

1 reference

28 October 2013

Microsoft Academic ID

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0 references

1 reference

1TWQ (English)

19 October 2016

1 reference

2APH (English)

19 October 2016

1 reference

2J8G (English)

19 October 2016

1 reference

4P0G (English)

19 October 2016

1 reference

3CYQ (English)

19 October 2016

1 reference

4PI7 (English)

19 October 2016

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4PI8 (English)

19 October 2016

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4CFP (English)

19 October 2016

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4HJV (English)

19 October 2016

1 reference

5E0B (English)

19 October 2016

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4BPA (English)

19 October 2016

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4H0Z (English)

19 October 2016

1 reference

2AIZ (English)

19 October 2016

1 reference

9LYZ (English)

19 October 2016

1 reference

2MTZ (English)

19 October 2016

1 reference

1D0K (English)