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CHEBI:31031 - (13S)-13-dihydrodaunorubicin

ChEBI IDCHEBI:31031
ChEBI Name(13S)-13-dihydrodaunorubicin
Stars
ASCII Name(13S)-13-dihydrodaunorubicin
DefinitionThe (13S)-diastereomer of 13-dihydrodaunorubicin.
Last Modified22 February 2017
DownloadsMolfile
FormulaC27H31NO10
Net Charge0
Average Mass529.542
Monoisotopic Mass529.19480
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChIInChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11-,14-,16-,17-,22+,27-/m0/s1
InChIKeyHJEZFVLKJYFNQW-PRFXOSGESA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
(13S)-13-dihydrodaunorubicin (CHEBI:31031) is a 13-dihydrodaunorubicin (CHEBI:31059)
IUPAC Name 
(1S,3S)-3,5,12-trihydroxy-3-[(1S)-1-hydroxyethyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Manual XrefsDatabases
C12433KEGG COMPOUND
LMPK13050005LIPID MAPS
4719DrugCentral
Registry NumbersSources
Reaxys:6773803Reaxys