N-acetyl-D-muramoyl-L-alaninate (Q27157345)

CHEBI:83941 (English)

9 October 2016

chemical formula

C₁₄H₂₃N₂O₉⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C(=O)[O-])NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C

1 reference

CHEBI:83941 (English)

9 October 2016

isomeric SMILES

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

1 reference

CHEBI:83941 (English)

InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/p-1/t5-,6+,8+,9+,10+,11+,14?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:83941 (English)

ICMUIFDBEVJCQA-HAFAVUGZSA-M

9 October 2016

InChIKey

2 references

CHEBI:83941 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxo-2-propanyl]-2-deoxy-D-glucopyranose (English)

9 October 2016

2 references

CHEBI:83941 (English)

matched by identifier from

9 October 2016

InChIKey

ICMUIFDBEVJCQA-HAFAVUGZSA-M

ChEBI ID

83941

mapping relation type

2 references

N-acetyl-D-muramoyl-L-alaninate (English)