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CHEBI:95021 - (2R)-2-[[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid

ChEBI IDCHEBI:95021
ChEBI Name(2R)-2-[[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
Stars
DownloadsMolfile
FormulaC20H21N5O6
Net Charge0
Average Mass427.417
Monoisotopic Mass427.14918
SMILESNc1nc(=O)c2c(CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)cnc2n1
InChIInChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1
InChIKeyWBXPDJSOTKVWSJ-CYBMUJFWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid (CHEBI:95021) is a glutamic acid derivative (CHEBI:24315)
Manual XrefsDatabases
LSM-6253LINCS
HMDB0014780HMDB