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CHEBI:227431 - [(4Z,6R,7R,8S,10E,12E,14S,15S,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] (2R)-2-(2-methylpropanoylamino)propanoate
| Formula | C33H44N2O8 |
| Net Charge | 0 |
| Average Mass | 596.721 |
| Monoisotopic Mass | 596.30977 |
| SMILES | CO[C@@H]1CC(=O)N2c3cc(O)cc4c3O[C@@H](/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C(C)C)[C@H](C)[C@@H](O)/C(C)=C\CC4)[C@H]12 |
| InChI | InChI=1S/C33H44N2O8/c1-18(2)32(39)34-21(5)33(40)43-25-13-8-7-9-14-26-29-27(41-6)17-28(37)35(29)24-16-23(36)15-22(31(24)42-26)12-10-11-19(3)30(38)20(25)4/h7-9,11,14-16,18,20-21,25-27,29-30,36,38H,10,12-13,17H2,1-6H3,(H,34,39)/b8-7+,14-9+,19-11-/t20-,21+,25-,26-,27+,29+,30-/m0/s1 |
| InChIKey | CSPLOMMYFKCXIH-XUGFZKIUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces seoulensis (ncbitaxon:73044) | - | PubMed (26058569) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(4Z,6R,7R,8S,10E,12E,14S,15S,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] (2R)-2-(2-methylpropanoylamino)propanoate (CHEBI:227431) is a azamacrocycle (CHEBI:52898) |
| [(4Z,6R,7R,8S,10E,12E,14S,15S,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] (2R)-2-(2-methylpropanoylamino)propanoate (CHEBI:227431) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Name |
|---|
| [(4Z,6R,7R,8S,10E,12E,14S,15S,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] (2R)-2-(2-methylpropanoylamino)propanoate |
| Manual Xrefs | Databases |
|---|---|
| 44210864 | ChemSpider |