Aclarubicin
General
Type : Antibiotic
Chemical_Nomenclature : methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Canonical SMILES : CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O
InChI : InChI=1S\/C42H53NO15\/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29\/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3\/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+\/m0\/s1
InChIKey : USZYSDMBJDPRIF-SVEJIMAYSA-N
Other name(s) : Aclacinomycin A, Aclarubicine, CHEBI:77980
Target
Families : Aclacinomycin-methylesterase_RdmC
References (2)
| Title : Crystal structure of aclacinomycin methylesterase with bound product analogues: implications for anthracycline recognition and mechanism - Jansson_2003_J.Biol.Chem_278_39006 |
| Author(s) : Jansson A , Niemi J , Mantsala P , Schneider G |
| Ref : Journal of Biological Chemistry , 278 :39006 , 2003 |
| PubMedID: 12878604 |
| Gene_locus related to this paper: ecoli-rdmC , strpu-rdmC |
| Title : Modifications of aclacinomycin T by aclacinomycin methyl esterase (RdmC) and aclacinomycin-10-hydroxylase (RdmB) from Streptomyces purpurascens - Wang_2000_Biochim.Biophys.Acta_1480_191 |
| Author(s) : Wang Y , Niemi J , Airas K , Ylihonko K , Hakala J , Mantsala P |
| Ref : Biochimica & Biophysica Acta , 1480 :191 , 2000 |
| PubMedID: 11004563 |