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ChEBI
> Main
CHEBI:77179 - 4-
O
-methylrhodomycin D
Main
ChEBI Ontology
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ChEBI Name
4-
O
-methylrhodomycin D
ChEBI ID
CHEBI:77179
ChEBI ASCII Name
4-O-methylrhodomycin D
Definition
An anthracycline that is aklavinone having a 3-amino-2,3,6-trideoxy-α-
L
-
lyxo
-hexopyranosyl residue and a methyl group attached as positions 4 and 7 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C29H33NO11
Net Charge
0
Average Mass
571.57240
Monoisotopic Mass
571.20536
InChI
InChI=1S/C29H33NO11/c1-
5-
29(37)
10-
15(41-
16-
9-
13(30)
23(31)
11(2)
40-
16)
18-
19(22(29)
28(36)
39-
4)
27(35)
20-
21(26(18)
34)
25(33)
17-
12(24(20)
32)
7-
6-
8-
14(17)
38-
3/h6-
8,11,13,15-
16,22-
23,31,34-
35,37H,5,9-
10,30H2,1-
4H3/t11-
,13-
,15-
,16-
,22-
,23+,29+/m0/s1
InChIKey
KPBSBYSJFXROOJ-FUXNZPHBSA-N
SMILES
CC[C@@]
1(O)
C[C@H]
(O[C@H]
2C[C@H]
(N)
[C@H]
(O)
[C@H]
(C)
O2)
c2c(O)
c3C(=O)
c4c(OC)
cccc4C(=O)
c3c(O)
c2[C@H]
1C(=O)
OC
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
)
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
anthracycline antibiotic
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-
O
-methylrhodomycin D (
CHEBI:77179
)
has functional parent
aklavinone (
CHEBI:31181
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
has role
metabolite (
CHEBI:25212
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
is a
acenoquinone (
CHEBI:51285
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
is a
aminoglycoside (
CHEBI:47779
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
is a
anthracycline antibiotic (
CHEBI:49322
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
is a
aromatic ether (
CHEBI:35618
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
is a
deoxy hexoside (
CHEBI:35315
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
is a
methyl ester (
CHEBI:25248
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
is a
monosaccharide derivative (
CHEBI:63367
)
4-
O
-methylrhodomycin D (
CHEBI:77179
)
is conjugate base of
4-
O
-methylrhodomycin D(1+) (
CHEBI:77074
)
Incoming
4-
O
-methylrhodomycin D(1+) (
CHEBI:77074
)
is conjugate acid of
4-
O
-methylrhodomycin D (
CHEBI:77179
)
IUPAC Name
methyl (1
R
,2
R
,4
S
)-
4-
[(3-
amino-
2,3,6-
trideoxy-
α-
L
-
lyxo
-
hexopyranosyl)oxy]-
2-
ethyl-
2,5,12-
trihydroxy-
7-
methoxy-
6,11-
dioxo-
1,2,3,4,6,11-
hexahydrotetracene-
1-
carboxylate
Synonyms
Sources
4-
O
-methylrhodomycinone D
MetaCyc
7-
O
-daunosaminyl-4-
O
-methyl-ε-rhodomycinone
ChEBI
Manual Xref
Database
CPD-15783
MetaCyc
View more database links
Registry Number
Type
Source
6949593
Reaxys Registry Number
Reaxys
Last Modified
03 March 2015