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ChEBI
> Main
CHEBI:41919 - 1-
O
-demethyl-6-deoxydoxorubicin
Main
ChEBI Ontology
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ChEBI Name
1-
O
-demethyl-6-deoxydoxorubicin
ChEBI ID
CHEBI:41919
ChEBI ASCII Name
1-O-demethyl-6-deoxydoxorubicin
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Formula
C26H27NO10
Net Charge
0
Average Mass
513.49332
Monoisotopic Mass
513.16350
InChI
InChI=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
InChIKey
ROILTUODAPUWLG-NRFWZUBKSA-N
SMILES
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(=O)CO
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
(1
S
,3
S
)-
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-DEOXYDOXORUBICIN
PDBeChem
Manual Xref
Database
DM4
PDBeChem
View more database links
Last Modified
06 February 2018