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ChEBI
> Main
CHEBI:140329 - 13-deoxycarminomycin(1+)
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ChEBI Name
13-deoxycarminomycin(1+)
ChEBI ID
CHEBI:140329
Definition
An anthracyline cation that is the conjugate acid of 13-deoxycarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Supplier Information
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SDF
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Formula
C26H30NO9
Net Charge
+1
Average Mass
500.519
Monoisotopic Mass
500.19151
InChI
InChI=1S/C26H29NO9/c1-
3-
26(34)
8-
12-
18(15(9-
26)
36-
16-
7-
13(27)
21(29)
10(2)
35-
16)
25(33)
20-
19(23(12)
31)
22(30)
11-
5-
4-
6-
14(28)
17(11)
24(20)
32/h4-
6,10,13,15-
16,21,28-
29,31,33-
34H,3,7-
9,27H2,1-
2H3/p+1/t10-
,13-
,15-
,16-
,21+,26-
/m0/s1
InChIKey
UHYFCDBUKBJSFA-JYFLSIMMSA-O
SMILES
C1(O)
=C2C(C(C=3C(=CC=CC3O)
C2=O)
=O)
=C(O)
C4=C1C[C@]
(C[C@@H]
4O[C@H]
5C[C@@H]
([C@@H]
([C@@H]
(O5)
C)
O)
[NH3+]
)
(CC)
O
ChEBI Ontology
Outgoing
13-deoxycarminomycin(1+) (
CHEBI:140329
)
is a
anthracycline cation (
CHEBI:64678
)
13-deoxycarminomycin(1+) (
CHEBI:140329
)
is conjugate acid of
13-deoxycarminomycin (
CHEBI:31056
)
Incoming
13-deoxycarminomycin (
CHEBI:31056
)
is conjugate base of
13-deoxycarminomycin(1+) (
CHEBI:140329
)
IUPAC Name
(1
S
,3
S
)-
3-
ethyl-
3,5,10,12-
tetrahydroxy-
6,11-
dioxo-
1,2,3,4,6,11-
hexahydrotetracen-
1-
yl 3-
azaniumyl-
2,3,6-
trideoxy-
α-
L
-
lyxo
-
hexopyranoside
Synonym
Source
13-deoxycarminomycin
UniProt
Manual Xref
Database
CPD-15732
MetaCyc
View more database links
Last Modified
04 April 2018