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CHEBI:59315 - N-acetyl-4-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutamine

ChEBI IDCHEBI:59315
ChEBI NameN-acetyl-4-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutamine
Stars
ASCII NameN-acetyl-4-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutamine
DefinitionAn N-acetyl-β-D-glycosaminyl glycopeptide consisting of an N-acetyl-β-D-glycosaminyl-(1→4)-N-acetylmuramoyl moiety attached to the amino terminus of the dipeptide L-alanyl-D-isoglutamine.
Last Modified18 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC27H45N5O16
Net Charge0
Average Mass695.676
Monoisotopic Mass695.28613
SMILESCC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C27H45N5O16/c1-9(24(42)32-13(23(28)41)5-6-16(37)38)29-25(43)10(2)45-22-18(31-12(4)36)26(44)46-15(8-34)21(22)48-27-17(30-11(3)35)20(40)19(39)14(7-33)47-27/h9-10,13-15,17-22,26-27,33-34,39-40,44H,5-8H2,1-4H3,(H2,28,41)(H,29,43)(H,30,35)(H,31,36)(H,32,42)(H,37,38)/t9-,10+,13+,14+,15+,17+,18+,19+,20+,21+,22+,26+,27-/m0/s1
InChIKeyPIJXCSUPSNFXNE-QRZOAFCBSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-4-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutamine (CHEBI:59315) is a N-acetyl-β-D-glycosaminyl glycopeptide (CHEBI:17149)
Synonyms  Source
GMDPChEBI
N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutamineChEBI
Registry NumbersSources
Reaxys:5722258Reaxys
Citations