EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H45N3O6S |
| Net Charge | 0 |
| Average Mass | 575.772 |
| Monoisotopic Mass | 575.30291 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O |
| InChI | InChI=1S/C30H45N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h6-8,12-15,17,22-24,29,31,34H,9-11,16,18-21H2,1-5H3/t22-,23+,24-,29-/m0/s1 |
| InChIKey | OJAAEAMCTGSNOQ-MVPDCNEZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:110938) is a azamacrocycle (CHEBI:52898) |
| N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:110938) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22382 | LINCS |