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ChEBI
> Main
CHEBI:31058 - (13
R
)-13-dihydrocarminomycin
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ChEBI Ontology
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ChEBI Name
(13
R
)-13-dihydrocarminomycin
ChEBI ID
CHEBI:31058
ChEBI ASCII Name
(13R)-13-dihydrocarminomycin
Definition
A anthracycline antibiotic that is a cardiotoxic metabolite of carminomycin obtained by formal reduction of the carbonyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C26H29NO10
Net Charge
0
Average Mass
515.510
Monoisotopic Mass
515.17915
InChI
InChI=1S/C26H29NO10/c1-
9-
21(30)
13(27)
6-
16(36-
9)
37-
15-
8-
26(35,10(2)
28)
7-
12-
18(15)
25(34)
20-
19(23(12)
32)
22(31)
11-
4-
3-
5-
14(29)
17(11)
24(20)
33/h3-
5,9-
10,13,15-
16,21,28-
30,32,34-
35H,6-
8,27H2,1-
2H3/t9-
,10+,13-
,15-
,16-
,21+,26-
/m0/s1
InChIKey
YXBSCYMMPXQFDS-LBIZDXDESA-N
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)
N)
([C@@H]
(C)
O)
O
Roles Classification
Biological Role
(s):
cardiotoxic agent
A role played by a chemical compound exihibiting itself through the ability to induce damage to the heart and cardiomyocytes.
drug metabolite
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
carbohydrate-containing antibiotic
)
(via
anthracycline antibiotic
)
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
anthracycline
)
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
has functional parent
carminomycin (
CHEBI:31359
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
has parent hydride
tetracene (
CHEBI:32600
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
has role
antineoplastic agent (
CHEBI:35610
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
has role
cardiotoxic agent (
CHEBI:50912
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
has role
drug metabolite (
CHEBI:49103
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
is a
p
-quinones (
CHEBI:25830
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
is a
aminoglycoside antibiotic (
CHEBI:22507
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
is a
anthracycline antibiotic (
CHEBI:49322
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
is a
tetracenequinones (
CHEBI:51286
)
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
is conjugate base of
(13
R
)-13-dihydrocarminomycin(1+) (
CHEBI:140330
)
Incoming
(13
R
)-13-dihydrocarminomycin(1+) (
CHEBI:140330
)
is conjugate acid of
(13
R
)-13-dihydrocarminomycin (
CHEBI:31058
)
IUPAC Name
(1
S
,3
S
)-
3,5,10,12-
tetrahydroxy-
3-
[(1
R
)-
1-
hydroxyethyl]-
6,11-
dioxo-
1,2,3,4,6,11-
hexahydrotetracen-
1-
yl 3-
amino-
2,3,6-
trideoxy-
α-
L
-
lyxo
-
hexopyranoside
Synonyms
Sources
Antibiotic 32999RP
ChemIDplus
Carminomycinol
ChemIDplus
Dihydrocarminomycin
ChemIDplus
Dihydrokarminomycin
ChemIDplus
RP-32999
ChemIDplus
Manual Xrefs
Databases
C12431
KEGG COMPOUND
CPD-15736
MetaCyc
View more database links
Registry Number
Type
Source
62182-86-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1037188
PubMed citation
Europe PMC
623453
PubMed citation
Europe PMC
6889513
PubMed citation
Europe PMC
7083181
PubMed citation
Europe PMC
7181464
PubMed citation
Europe PMC
7251757
PubMed citation
Europe PMC
7307236
PubMed citation
Europe PMC
Last Modified
05 April 2018