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

ChEBI IDCHEBI:83898
ChEBI NameUDP-N-acetyl-α-D-muramoyl-L-alaninate(3−)
Stars
ASCII NameUDP-N-acetyl-alpha-D-muramoyl-L-alaninate(3-)
DefinitionA 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.
Last Modified6 February 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H33N4O20P2
Net Charge-3
Average Mass747.473
Monoisotopic Mass747.11798
SMILESCC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]
InChIInChI=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
InChIKeyNTMMCWJNQNKACG-KBKUWGQMSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
UniProt Name  Source
UDP-N-acetyl-α-D-muramoyl-L-alanineUniProt
Manual XrefsDatabases
CPD0-1456MetaCyc