EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N4O5 |
| Net Charge | 0 |
| Average Mass | 320.305 |
| Monoisotopic Mass | 320.11207 |
| SMILES | [H]O[C@]1([H])c2c(C([H])([H])OC(=O)N([H])[H])c3c(n2C([H])([H])[C@]1([H])N([H])[H])C(=O)C(C([H])([H])[H])=C(N([H])[H])C3=O |
| InChI | InChI=1S/C14H16N4O5/c1-4-8(16)13(21)7-5(3-23-14(17)22)9-12(20)6(15)2-18(9)10(7)11(4)19/h6,12,20H,2-3,15-16H2,1H3,(H2,17,22)/t6-,12-/m0/s1 |
| InChIKey | XNHZZRIKMUCTHU-QTTZVWFDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSENE (CHEBI:44040) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSENE | PDBeChem |
| [(1S,2S)-2,7-diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| MC | PDBeChem |