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CHEBI:81906 - mithramycin DK
| Formula | C52H74O24 |
| Net Charge | 0 |
| Average Mass | 1083.140 |
| Monoisotopic Mass | 1082.45700 |
| SMILES | [H][C@@]1([C@H](OC)C(=O)[C@@H](O)C(C)=O)Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1 |
| InChI | InChI=1S/C52H74O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,20-24,27-28,30-37,41-45,49-51,54-61,64-65H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1 |
| InChIKey | GXBYLUZTDNFHPE-HBTOKZPTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mithramycin DK (CHEBI:81906) is a aureolic acid (CHEBI:52513) |
| mithramycin DK (CHEBI:81906) is a carbotricyclic compound (CHEBI:38032) |
| mithramycin DK (CHEBI:81906) is a secondary α-hydroxy ketone (CHEBI:2468) |
| Incoming Relation(s) |
| mithramycin (CHEBI:31856) has functional parent mithramycin DK (CHEBI:81906) |
| IUPAC Name |
|---|
| (2S,3S)-6-{[2,6-dideoxy-3-O-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-β-D-arabino-hexopyranosyl]oxy}-8,9-dihydroxy-3-[(1S,3S)-3-hydroxy-1-methoxy-2,4-dioxopentyl]-7-methyl-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl 2,6-dideoxy-3-C-methyl-β-D-ribo-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-lyxo-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-arabino-hexopyranoside |
| Synonym | Source |
|---|---|
| 4'-keto-mithramycin | MetaCyc |
| UniProt Name | Source |
|---|---|
| mithramycin DK | UniProt |
| Citations |
|---|