EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C12H20BrN2O3S2 |
| Net Charge | +1 |
| Average Mass | 384.341 |
| Monoisotopic Mass | 383.00932 |
| SMILES | [H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])SSC([H])([H])C1=C(Br)C(C([H])([H])[H])(C([H])([H])[H])[N+](=O)C1(C([H])([H])[H])C([H])([H])[H] |
| InChI | InChI=1S/C12H19BrN2O3S2/c1-11(2)7(9(13)12(3,4)15(11)18)5-19-20-6-8(14)10(16)17/h8H,5-6,14H2,1-4H3/p+1/t8-/m0/s1 |
| InChIKey | XZCZRVQFXDTWAC-QMMMGPOBSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-S-[(4-BROMO-2,2,5,5-TETRAMETHYL-1-OXO-2,5-DIHYDRO-1H-PYRROL-3-YL)METHYL]SULFANYL-L-CYSTEINE (CHEBI:47647) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 3-{[(4-bromo-2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1H-pyrrolium-3-yl)methyl]disulfanyl}-L-alanine | PDBeChem |
| 3-S-[(4-BROMO-2,2,5,5-TETRAMETHYL-1-OXO-2,5-DIHYDRO-1H-PYRROL-3-YL)METHYL]SULFANYL-L-CYSTEINE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| R7A | PDBeChem |