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CHEBI:40208 - (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetic acid
| Formula | C17H25N3O9 |
| Net Charge | 0 |
| Average Mass | 415.399 |
| Monoisotopic Mass | 415.15908 |
| 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([H])([H])[C@]([H])(O[H])[C@@](O[H])(C([H])([H])O[H])[C@@]1([H])O[H] |
| InChI | InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/m0/s1 |
| InChIKey | YNVYTCBBBGXDHW-NCBDHNCWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetic acid (CHEBI:40208) has functional parent acetic acid (CHEBI:15366) |
| (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetic acid (CHEBI:40208) is a L-tyrosine derivative (CHEBI:27177) |
| (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetic acid (CHEBI:40208) is a hydroxypiperidine (CHEBI:48590) |
| Incoming Relation(s) |
| butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetate (CHEBI:40142) has functional parent (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetic acid (CHEBI:40208) |
| Synonyms | Source |
|---|---|
| [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID | PDBeChem |
| (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoic acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 629 | PDBeChem |