CHEBI:62542 - N-acetyl-α-D-muramoyl-L-alaninate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-α-D-muramoyl-L-alaninate
ChEBI ID CHEBI:62542
ChEBI ASCII Name N-acetyl-alpha-D-muramoyl-L-alaninate
Definition The carbohydrate acid derivative anion formed by loss of a proton from the carboxy group of N-acetyl-α-D-muramoyl-L-alanine; principal microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information ZINC000000004360
Download Molfile XML SDF
Formula C14H23N2O9
Net Charge -1
Average Mass 363.34040
Monoisotopic Mass 363.14090
InChI 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
InChIKey ICMUIFDBEVJCQA-GFBFODDVSA-M
SMILES C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C([O-])=O
ChEBI Ontology
Outgoing N-acetyl-α-D-muramoyl-L-alaninate (CHEBI:62542) is a N-acetyl-D-muramoyl-L-alaninate (CHEBI:83941)
N-acetyl-α-D-muramoyl-L-alaninate (CHEBI:62542) is conjugate base of N-acetyl-α-D-muramoyl-L-alanine (CHEBI:28920)
Incoming N-acetyl-α-D-muramoyl-L-alanine (CHEBI:28920) is conjugate acid of N-acetyl-α-D-muramoyl-L-alaninate (CHEBI:62542)
IUPAC Name
2-acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxopropan-2-yl]-2-deoxy-α-D-glucopyranose
Synonym Source
N-Acetyl-D-muramoyl-L-alanine(1−) SUBMITTER
Last Modified
19 February 2015