DCMAA
Product of hydrolysis of Aclarubicin (Aclacinomycin A) by Aclacinomycin-methylesterase_RdmC
General
Type : Antibiotic
Chemical_Nomenclature : (7S,9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(4S,5R,6S)-4-hydroxy-6-methyl-5-[(2R,6R)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Canonical SMILES : CCC1(CC(C2=C(C3=C(C=C2C1)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\/C40H51NO13\/c1-7-40(48)16-21-13-23-34(37(47)33-22(35(23)45)9-8-10-26(33)43)36(46)32(21)28(17-40)52-30-14-24(41(5)6)38(19(3)50-30)54-31-15-27(44)39(20(4)51-31)53-29-12-11-25(42)18(2)49-29\/h8-10,13,18-20,24,27-31,38-39,43-44,46,48H,7,11-12,14-17H2,1-6H3\/t18-,19+,20+,24+,27+,28+,29+,30+,31?,38-,39+,40+\/m1\/s1
InChIKey : OXPCRXLITLBLEY-XOLSRONZSA-N
Other name(s) : AKA,DB01806,10-Decarboxymethylaclacinomycin A,(1S,3S)-3-ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-beta-L-arabino-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside
MW : 753.8
Formula : C40H51NO13
CAS_number :
UniChem : OXPCRXLITLBLEY-XOLSRONZSA-N
IUPHAR :
Wikipedia :
Target
Families : DCMAA ligand of proteins in family: Aclacinomycin-methylesterase_RdmC
Stucture : 1Q0R Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)
Protein : strpu-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 |
| Abstract : Jansson_2003_J.Biol.Chem_278_39006 |
| ESTHER : Jansson_2003_J.Biol.Chem_278_39006 |
| PubMedSearch : Jansson_2003_J.Biol.Chem_278_39006 |
| 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 |
| Abstract : Wang_2000_Biochim.Biophys.Acta_1480_191 |
| ESTHER : Wang_2000_Biochim.Biophys.Acta_1480_191 |
| PubMedSearch : Wang_2000_Biochim.Biophys.Acta_1480_191 |
| PubMedID: 11004563 |