Chemical Component Summary | |
|---|---|
| Name | (S)-MANDELIC ACID |
| Identifiers | (2S)-2-hydroxy-2-phenyl-ethanoic acid |
| Formula | C8 H8 O3 |
| Molecular Weight | 152.147 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)[C@@H](C(=O)O)O |
| InChI | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1 |
| InChIKey | IWYDHOAUDWTVEP-ZETCQYMHSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 19 |
| Chiral Atom Count | 1 |
| Bond Count | 19 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB03357 |
|---|---|
| Name | (S)-Mandelic acid |
| Groups | experimental |
| Synonyms |
|
| CAS number | 17199-29-0 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Mandelate racemase | MSEVLITGLRTRAVNVPLAYPVHTAVGTVGTAPLVLIDLATSAGVVGHSY... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 439616 |
| ChEMBL | CHEMBL58910 |
| ChEBI | CHEBI:32800 |
| CCDC/CSD | NONZOF, BOBQUG, HOGGOB, NONZUL, BOBQOA, FEGHAA14, IREKAR, FEGHAA, FEGHAA12, JUXKIW, FEGHAA13, ESAFIP, DLMAND13, CASLUG, JILZOU01, HIBVUJ, DLMAND03, GEJCAA, CASMAN, GAZPAA, OFOKEA, BOBRAN, LAWKIE, OVUFUH, DLMAND02, FEGHAA01, LUNPAL, CECMEC10, JILZOU, FEGHAA07, FEGHAA03, DLMAND01, JIFCEJ, AVIPEA, FEGHAA08, LIQGOJ, FEGHAA10, FEGHAA02, FEGHAA06, FONJAU, FEGHAA09, KAJSIB, KAJSIB01, BOBQOA01 |
| COD | 4121372, 7214364, 4121331, 1514931, 1513043, 4506511, 4121330, 2203010, 7202609, 1511831, 1511834, 1511830, 1511832, 1511835, 1511836, 1511833, 1511838, 1511837 |
