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CHEBI:93896 - 2-[[2-amino-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxopentyl]amino]-2-[(2R,3R,4S,5R)-5-(2,4-dioxo-1-pyridinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid

ChEBI IDCHEBI:93896
ChEBI Name2-[[2-amino-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxopentyl]amino]-2-[(2R,3R,4S,5R)-5-(2,4-dioxo-1-pyridinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid
Stars
DownloadsMolfile
FormulaC22H28N4O9
Net Charge0
Average Mass492.485
Monoisotopic Mass492.18563
SMILESCC(c1ccc(O)cn1)C(C)C(N)C(=O)NC(C(=O)O)[C@H]1O[C@@H](N2C=CC(=O)CC2=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C22H28N4O9/c1-9(13-4-3-12(28)8-24-13)10(2)15(23)20(32)25-16(22(33)34)19-17(30)18(31)21(35-19)26-6-5-11(27)7-14(26)29/h3-6,8-10,15-19,21,28,30-31H,7,23H2,1-2H3,(H,25,32)(H,33,34)/t9?,10?,15?,16?,17-,18+,19-,21-/m1/s1
InChIKeyMUYOCJNYLOJXQK-ZRBNDYFUSA-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)
2-[[2-amino-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxopentyl]amino]-2-[(2R,3R,4S,5R)-5-(2,4-dioxo-1-pyridinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid (CHEBI:93896) is a peptide (CHEBI:16670)
Manual XrefsDatabases
LSM-4472LINCS