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CHEBI:64420 - UDP-N-acetyl-α-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine(4−)

ChEBI IDCHEBI:64420
ChEBI NameUDP-N-acetyl-α-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine(4−)
Stars
ASCII NameUDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine(4-)
Last Modified27 March 2025
SubmitterEugeni Belda
DownloadsMolfile
FormulaC38H56N8O27P2
Net Charge-4
Average Mass1118.843
Monoisotopic Mass1118.27521
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)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C38H60N8O27P2/c1-14(30(54)44-20(36(61)62)8-9-23(49)43-19(7-5-6-18(39)35(59)60)32(56)41-15(2)34(57)58)40-31(55)16(3)69-29-25(42-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,55)(H,41,56)(H,42,48)(H,43,49)(H,44,54)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/p-4/t14-,15+,16+,18+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,37+/m0/s1
InChIKeyGTTWNLXGSDZECO-HOZNVNQUSA-J
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
UDP-N-acetyl-α-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine(4−) (CHEBI:64420) is a organophosphate oxoanion (CHEBI:58945)
UDP-N-acetyl-α-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine(4−) (CHEBI:64420) is a UDP-glycopeptide (CHEBI:35257)
IUPAC Name 
(2R,5S,10R,13S,16R)-16-{[(2R,3R,4R,5S,6R)-3-acetamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-5-[(4R)-4-azaniumyl-4-carboxylatobutyl]-10-carboxylato-2,13-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazaheptadecan-1-oate
Synonym  Source
UDP-MurNAc-tetrapeptide(4−)SUBMITTER
UniProt Name  Source
UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanineUniProt
Manual XrefsDatabases
UDP-MURNAC-TETRAPEPTIDEMetaCyc