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CHEBI:39928 - [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID

Default Structure
ChEBI IDCHEBI:39928
ChEBI Name[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC17H23N3O9
Net Charge0
Average Mass413.383
Monoisotopic Mass413.14343
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])c1c([H])c([H])c(O[H])c([H])c1[H])[C@]1([H])N(O[H])[C@@]2([H])OC([H])([H])[C@@](O[H])([C@@]1([H])O[H])[C@@]2([H])O[H]
InChIInChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1
InChIKeyJOBDOAKLPNMGKV-OEUXZGCXSA-N
ChEBI Ontology
Outgoing Relation(s)
[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID (CHEBI:39928) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACIDPDBeChem
(2S)-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]oct-3-yl](L-tyrosylamino)ethanoic acidPDBeChem
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