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 No supplier information found for this compound.
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