Malate
PubChem CID: 160434
Connections displayed (default: 10).
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| Compound Synonyms | malate, 2-hydroxybutanedioate, 149-61-1, malate dianion, malate(2-), ANION STANDARD - MALATE, Butanedioic acid, 2-hydroxy-, ion(2-), DL-Apple Acid, Hydroxybutanedioate, CHEMBL182856, DL Malate, Malate ion(2-), Hydroxysuccinate, malate anion, DL-Malate, 3-hydroxysuccinate, 2-Hydroxysuccinate, Sodium, L-Malate, (RS)-malic acid, (RS)-malate, Butanedioic acid, hydroxy-, ion(2)-, CHEBI:15595, DTXSID00933521, BJEPYKJPYRNKOW-UHFFFAOYSA-L, hydroxybutanedioic acid, ion(2-), BDBM50159798, calcium (hydroxy-1-malate) hexahydrate, Q27098132 |
|---|---|
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxybutanedioate |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C4H4O5-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJEPYKJPYRNKOW-UHFFFAOYSA-L |
| Fcsp3 | 0.5 |
| Logs | 0.114 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.459 |
| Compound Name | Malate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.006 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 132.006 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 132.07 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0908401999999997 |
| Inchi | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2 |
| Smiles | C(C(C(=O)[O-])O)C(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Taraxacum Borealisinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Taraxacum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Taraxacum Mongolicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Taraxacum Platycarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all