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CHEBI:176920 - AG 2034

ChEBI IDCHEBI:176920
ChEBI NameAG 2034
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21N5O6S2
Net Charge0
Average Mass467.529
Monoisotopic Mass467.09333
SMILESNc1nc2c(c(=O)n1)S[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1)CN2
InChIInChI=1S/C18H21N5O6S2/c19-18-22-14-13(16(27)23-18)31-9(7-20-14)2-1-8-3-5-11(30-8)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,9-10H,1-2,4,6-7H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t9-,10-/m0/s1
InChIKeyHHKAOUMVRGSKLS-UWVGGRQHSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
AG 2034 (CHEBI:176920) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
Manual XrefsDatabases
C21280KEGG COMPOUND
154396ChemSpider
Registry NumbersSources
CAS:177575-17-6ChemIDplus