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ChEBI
> Main
CHEBI:75296 - 13-dihydrodaunorubicin(1+)
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ChEBI Name
13-dihydrodaunorubicin(1+)
ChEBI ID
CHEBI:75296
Definition
An organic cation that is the conjugate acid of 13-dihydrodaunorubicin, obtained by protonation of the primary amino function.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C27H32NO10
Net Charge
+1
Average Mass
530.54370
Monoisotopic Mass
530.20207
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/p+1/t10-
,11?,14-
,16-
,17-
,22+,27-
/m0/s1
InChIKey
HJEZFVLKJYFNQW-FKKRWUELSA-O
SMILES
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)O
ChEBI Ontology
Outgoing
13-dihydrodaunorubicin(1+) (
CHEBI:75296
)
is a
ammonium ion derivative (
CHEBI:35274
)
13-dihydrodaunorubicin(1+) (
CHEBI:75296
)
is a
organic cation (
CHEBI:25697
)
13-dihydrodaunorubicin(1+) (
CHEBI:75296
)
is conjugate acid of
13-dihydrodaunorubicin (
CHEBI:31059
)
Incoming
13-dihydrodaunorubicin (
CHEBI:31059
)
is conjugate base of
13-dihydrodaunorubicin(1+) (
CHEBI:75296
)
IUPAC Name
(1
S
,3
S
)-
3,5,12-
trihydroxy-
3-
(1-
hydroxyethyl)-
10-
methoxy-
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-dihydrodaunorubicin
UniProt
Citations
Types
Sources
9098063
PubMed citation
SUBMITTER
9864343
PubMed citation
SUBMITTER
Last Modified
01 October 2013