EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H16N2S.C6H8O7 |
| Net Charge | 0 |
| Average Mass | 412.464 |
| Monoisotopic Mass | 412.13042 |
| SMILES | Cc1ccsc1C=CC1=NCCCN1C.O=C(O)CC(O)(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C12H16N2S.C6H8O7/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9H,3,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | OLOCXIJVDIVAHH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Morantel citrate salt (CHEBI:201400) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine |