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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (13S)-13-dihydrodaunorubicin
ChEBI ID CHEBI:31031
ChEBI ASCII Name (13S)-13-dihydrodaunorubicin
Definition The (13S)-diastereomer of 13-dihydrodaunorubicin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H31NO10
Net Charge 0
Average Mass 529.53570
Monoisotopic Mass 529.19480
InChI InChI=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
InChIKey HJEZFVLKJYFNQW-PRFXOSGESA-N
SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)[C@H](C)O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via carbohydrate-containing antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Xrefs Databases
4719 DrugCentral
C12433 KEGG COMPOUND
LMPK13050005 LIPID MAPS
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Registry Number Type Source
6773803 Reaxys Registry Number Reaxys
Last Modified
22 February 2017