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

ChEBI IDCHEBI:62542
ChEBI NameN-acetyl-α-D-muramoyl-L-alaninate
Stars
ASCII NameN-acetyl-alpha-D-muramoyl-L-alaninate
DefinitionThe 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.
Last Modified19 February 2015
SubmitterEugeni Belda
DownloadsMolfile
FormulaC14H23N2O9
Net Charge-1
Average Mass363.343
Monoisotopic Mass363.14090
SMILESCC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=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
InChIKeyICMUIFDBEVJCQA-GFBFODDVSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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