CHEBI:83898 - UDP-N-acetyl-α-D-muramoyl-L-alaninate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name UDP-N-acetyl-α-D-muramoyl-L-alaninate(3−)
ChEBI ID CHEBI:83898
ChEBI ASCII Name UDP-N-acetyl-alpha-D-muramoyl-L-alaninate(3-)
Definition A UDP-N-acetylmuramoyl-L-alaninate(3−) in which the D-muramoyl fragment has α-configuration at its anomeric centre; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C23H33N4O20P2
Net Charge -3
Average Mass 747.47210
Monoisotopic Mass 747.11798
InChI InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/p-3/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1
InChIKey NTMMCWJNQNKACG-KBKUWGQMSA-K
SMILES C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C([O-])=O
ChEBI Ontology
Outgoing UDP-N-acetyl-α-D-muramoyl-L-alaninate(3−) (CHEBI:83898) is a UDP-N-acetylmuramoyl-L-alaninate(3−) (CHEBI:57953)
UDP-N-acetyl-α-D-muramoyl-L-alaninate(3−) (CHEBI:83898) is conjugate base of UDP-N-acetyl-α-D-muramoyl-L-alanine (CHEBI:84726)
Incoming UDP-N-acetyl-α-D-muramoyl-L-alanine (CHEBI:84726) is conjugate acid of UDP-N-acetyl-α-D-muramoyl-L-alaninate(3−) (CHEBI:83898)
Synonym Source
UDP-N-acetyl-α-D-muramoyl-L-alanine UniProt
Manual Xref Database
CPD0-1456 MetaCyc
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Last Modified
06 February 2015