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CHEBI:227425 - [(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-(3-methylbutanoylamino)propanoate
| Formula | C34H46N2O8 |
| Net Charge | 0 |
| Average Mass | 610.748 |
| Monoisotopic Mass | 610.32542 |
| 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)CC(C)C)[C@H](C)[C@@H](O)/C(C)=C\CC4)[C@H]12 |
| InChI | InChI=1S/C34H46N2O8/c1-19(2)15-29(38)35-22(5)34(41)44-26-13-8-7-9-14-27-31-28(42-6)18-30(39)36(31)25-17-24(37)16-23(33(25)43-27)12-10-11-20(3)32(40)21(26)4/h7-9,11,14,16-17,19,21-22,26-28,31-32,37,40H,10,12-13,15,18H2,1-6H3,(H,35,38)/b8-7+,14-9+,20-11-/t21-,22+,26-,27-,28+,31+,32-/m0/s1 |
| InChIKey | MXUJLKOASCQUER-INIKJZTGSA-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-(3-methylbutanoylamino)propanoate (CHEBI:227425) 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-(3-methylbutanoylamino)propanoate (CHEBI:227425) 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-(3-methylbutanoylamino)propanoate |
| Manual Xrefs | Databases |
|---|---|
| 44210863 | ChemSpider |