TCA
PHENYLETHYLENECARBOXYLIC ACID
Find entries where: TCA
is present as a standalone ligand in 4 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 3 entries
is present in a polymer sequence 1 entries
Chemical Component Summary | |
|---|---|
| Name | PHENYLETHYLENECARBOXYLIC ACID |
| Identifiers | (E)-3-phenylprop-2-enoic acid |
| Formula | C9 H8 O2 |
| Molecular Weight | 148.159 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)\C=C\C(=O)O |
| InChI | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ |
| InChIKey | WBYWAXJHAXSJNI-VOTSOKGWSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 19 |
| Chiral Atom Count | 0 |
| Bond Count | 19 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB18313? |
|---|---|
| Name | Cinnamic acid |
| Groups | investigational |
| Synonyms |
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| Categories |
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| CAS number | 140-10-3 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 444539 |
| ChEMBL | CHEMBL27246 |
| ChEBI | CHEBI:35697, CHEBI:27386 |
| CCDC/CSD | CINMAC07, IPEVUV01, IPEVUV, MEZQIU, OPUSOI, WUZLEL, NUZSOS, PUCTEP, CINMAC06, IQILEB, WOCFAX, LUNMAI01, KUXTIH, CINMAC08, CINMAC10, CINMAC03, CINMAC11, LUNMAI, NUZTAF, SETSAN02, NEBXAV, DAYWAC, JECZAS, NABCEZ, DAYWAC01, SETSAN, YEPKAI, HOJLUO, EXEYIQ, AGIGEE, SETSAN03, CINMAC, ITOXUL, CITJUN, CINMAC04, SETSAN01, ACERIL, WOCHUT, OKEYIP, UZAKIS, FERLOH, NUZSOS01 |
| COD | 2104350, 4505188, 2107472, 2107473, 2019453, 2207660, 4500955, 4507465, 4500952, 4507466 |
