DCMAT

Product of hydrolysis of Aclacinomycin T by Aclacinomycin-methylesterase_RdmC

General

Type : Antibiotic

Chemical_Nomenclature : (7S,9S)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-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)O)N(C)C)O

InChI : InChI=1S\/C28H33NO8\/c1-5-28(35)11-14-9-16-23(27(34)22-15(25(16)32)7-6-8-18(22)30)26(33)21(14)19(12-28)37-20-10-17(29(3)4)24(31)13(2)36-20\/h6-9,13,17,19-20,24,30-31,33,35H,5,10-12H2,1-4H3\/t13-,17-,19-,20-,24+,28-\/m0\/s1

InChIKey : BLGDWFJQIHBUJY-NWJGULHDSA-N

Other name(s) : AKT,10-Decarboxymethylaclacinomycin T,DB04131,Q27457389,(1S,3S)-3-ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside


MW : 511.6

Formula : C28H33NO8

CAS_number :

PubChem : 5287662

UniChem : BLGDWFJQIHBUJY-NWJGULHDSA-N

IUPHAR :

Wikipedia :

Target

Families : DCMAT ligand of proteins in family: Aclacinomycin-methylesterase_RdmC

Stucture : 1Q0Z Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin A (DcmA)

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