3-Hydroxyaspartic acid
PubChem CID: 5425
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| Compound Synonyms | 3-Hydroxyaspartic acid, 71653-06-0, 2-Amino-3-hydroxysuccinic Acid, 2-amino-3-hydroxybutanedioic acid, d,l-threo-3-HYDROXYASPARTIC ACID, Aspartic acid, 3-hydroxy-, Malic acid, 3-amino-, 3-aminomalic acid, beta-Hydroxyaspartic acid, 4294-45-5, NSC618260, 1860-87-3, CHEBI:83981, 3-Hydroxy-DL-aspartic acid, 99A78V5YX2, DL-Threo-.beta.-hydroxyaspartic acid, NSC-84663, NSC 139979, threo-beta-Hydroxy-L-aspartic acid, 5753-30-0, threo-beta-Hydroxyaspartate, threo-3-Hydroxy-L-aspartic acid, NSC-139979, NSC-158205, 2-amino-3-hydroxy-butanedioic acid, EINECS 275-771-1, MFCD00128126, NSC 84663, Spectrum_001134, D -(+)-THREO -BETA-HYDROXYASPARTIC ACID, 3-hydroxy-aspartic acid, (2R,3S)-2-AMINO-3-HYDROXY-SUCCINIC ACID, Spectrum2_001914, Spectrum3_001123, Spectrum4_001967, Spectrum5_000765, Aspartic acid, DL-erythro-, DL-Aspartic acid, erythro-, BSPBio_002585, KBioGR_002438, KBioSS_001614, SPECTRUM501000, beta-Hydroxy-DL-aspartic acid, SCHEMBL336363, UNII-99A78V5YX2, SPBio_001908, erythro-3-Hydroxy-DL-aspartate, CHEMBL3039080, KBio2_001614, KBio2_004182, KBio2_006750, KBio3_002085, DTXSID20875575, YYLQUHNPNCGKJQ-UHFFFAOYSA-N, NSC84663, .beta.-erythro-Hydroxy-DL-aspartate, CCG-38483, NSC119128, NSC119129, NSC139979, NSC158204, NSC158205, AKOS022145819, DL-ASPARTIC ACID, 3-HYDROXY-, DL-erythro-.beta.-Hydroxyaspartic acid, NSC-119128, NSC-119129, NSC-158204, NSC-618260, SDCCGMLS-0066971.P001, .BETA.-HYDROXY-DL-ASPARTIC ACID, erythro-.beta.-Hydroxy-DL-aspartic acid, NCGC00015504-02, NCGC00095968-01, AS-87846, D-Aspartic acid,3-hydroxy-, (3R)-rel-, DB-050999, CS-0206811, H0947, (2R,3R)-2-Amino-3-hydroxy-butanedioic acid, D90978, D-Aspartic acid,3-hydroxy-, (3R)- Catalog NuMber, Q27157362 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9Y6L6, Q9NPD5 |
| Iupac Name | 2-amino-3-hydroxybutanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | -4.4 |
| Molecular Formula | C4H7NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYLQUHNPNCGKJQ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.321 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.792 |
| Compound Name | 3-Hydroxyaspartic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 149.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.2181676000000006 |
| Inchi | InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10) |
| Smiles | C(C(C(=O)O)O)(C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
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