5-hydroxy-L-tryptophan
CNP0403850.1 · C11H12N2O3 · View on COCONUT ↗
Identifiers
| Name | 5-hydroxy-L-tryptophan |
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| IUPAC Name | (2~{S})-2-amino-3-(5-hydroxy-1~{H}-indol-3-yl)propanoic acid |
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| COCONUT ID | CNP0403850.1 |
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| CAS | 4350-09-8 |
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| InChIKey | LDCYZAJDBXYCGN-VIFPVBQESA-N |
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| InChI | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 |
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| SMILES | N[C@@H](CC1=CNC2=CC=C(O)C=C12)C(=O)O |
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Properties
| Molecular Formula | C11H12N2O3 |
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| Molecular Weight | 220.23 |
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| Exact Mass | 220.08479 |
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| Log P (ALogP) | 0.83 |
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| TPSA | 99.34 |
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| H-Bond Donors / Acceptors | 4 / 3 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.62 |
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| NP-likeness | 0.79 |
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Classification
| NP Pathway | Amino acids and Peptides |
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| NP Superclass | Small peptides |
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| NP Class | Aminoacids |
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| Chemical Superclass | Organic acids and derivatives |
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| Chemical Class | Carboxylic acids and derivatives |
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| Chemical Subclass | Amino acids, peptides, and analogues |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
