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CHEBI:41919 - 1-O-demethyl-6-deoxydoxorubicin

ChEBI IDCHEBI:41919
ChEBI Name1-O-demethyl-6-deoxydoxorubicin
Stars
ASCII Name1-O-demethyl-6-deoxydoxorubicin
Last Modified6 February 2018
DownloadsMolfile
FormulaC26H27NO10
Net Charge0
Average Mass513.499
Monoisotopic Mass513.16350
SMILESC[C@@H]1O[C@@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)C[C@H](N)[C@@H]1O
InChIInChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18-,22+,26-/m0/s1
InChIKeyROILTUODAPUWLG-NRFWZUBKSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-O-demethyl-6-deoxydoxorubicin (CHEBI:41919) has functional parent doxorubicin (CHEBI:28748)
1-O-demethyl-6-deoxydoxorubicin (CHEBI:41919) is a p-quinones (CHEBI:25830)
1-O-demethyl-6-deoxydoxorubicin (CHEBI:41919) is a aminoglycoside (CHEBI:47779)
1-O-demethyl-6-deoxydoxorubicin (CHEBI:41919) is a anthracycline (CHEBI:48120)
1-O-demethyl-6-deoxydoxorubicin (CHEBI:41919) is a deoxy hexoside (CHEBI:35315)
1-O-demethyl-6-deoxydoxorubicin (CHEBI:41919) is a primary α-hydroxy ketone (CHEBI:139590)
1-O-demethyl-6-deoxydoxorubicin (CHEBI:41919) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
(1S,3S)-3,10,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Synonym  Source
1-O-DEMETHYL-6-DEOXYDOXORUBICINPDBeChem
Manual XrefsDatabases
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