3-Tyrosine
PubChem CID: 6950578
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| Compound Synonyms | L-m-Tyrosine, 587-33-7, 3-HYDROXY-L-PHENYLALANINE, Meta-Tyrosine, (S)-2-amino-3-(3-hydroxyphenyl)propanoic acid, 3-tyrosine, 3-Hydroxyphenylalanine, m-L-Tyrosine, (2S)-2-amino-3-(3-hydroxyphenyl)propanoic acid, L-META-TYROSINE, 3-(m-Hydroxyphenyl)alanine, m-Tyrosine, L-mTyr, m-Tyrosine, L-, L-Phenylalanine, 3-hydroxy-, L-(-)-m-Tyrosine, CHEBI:44303, L-M-TYR, D5YF57V4QW, MFCD00063059, 3-TYROSINE L-, CHEMBL1232501, DTXSID60871778, (2S)-2-azaniumyl-3-(3-hydroxyphenyl)propanoate, 3-(3-HYDROXYPHENYL)-L-ALANINE, UNII-D5YF57V4QW, Tyrosine, meta-, MTY, L-3-hydroxyphenylalanine, M-TYROSINE [MI], M-L-TYR-OH, H-PHE(3-OH)-OH, SCHEMBL147042, DTXCID001333632, BBL101636, BDBM50463214, STL555432, AKOS005259649, AKOS012010213, CS-W017159, DB03552, FT28630, HY-W016443, AS-16026, DA-65034, NS00042619, A13202, C20807, EN300-247349, 3-Hydroxy-L-phenylalanine, 3-(m-Hydroxyphenyl)alanine, Q27096325, 65FEA9F8-AC27-4B7E-9E2A-F5D485E5839E, Z995228186, (S)-2-Amino-3-(3-hydroxyphenyl)propanoic acid m-L-Tyr-OH, 611-743-0 |
|---|---|
| Topological Polar Surface Area | 83.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q01650 |
| Iupac Name | (2S)-2-amino-3-(3-hydroxyphenyl)propanoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT1157 |
| Xlogp | -2.4 |
| Molecular Formula | C9H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZKXXXDKRQWDET-QMMMGPOBSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.002 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.169 |
| Compound Name | 3-Tyrosine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 181.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 181.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 181.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3924773384615383 |
| Inchi | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 |
| Smiles | C1=CC(=CC(=C1)O)C[C@@H](C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adonis Amurensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Myrsinites (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Karwinskia Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Prunus Avium (Plant) Rel Props:Source_db:npass_chem_all