EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H19N5O13S4 |
| Net Charge | 0 |
| Average Mass | 737.728 |
| Monoisotopic Mass | 736.98622 |
| SMILES | Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O |
| InChI | InChI=1S/C26H19N5O13S4/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/b29-28+,31-30+ |
| InChIKey | DUUHLAZWLLCPSP-DUJDKOHPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein [LBO:0000132] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-Amino-4-hydroxy-3-[(e)-2-{7-sulfO-4-[(e)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-2,7-disulfonic acid (CHEBI:185245) is a naphthalenesulfonic acid (CHEBI:36336) |
| IUPAC Name |
|---|
| 6-amino-4-hydroxy-3-[[7-sulo-4-[(4-sulophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulonic acid |