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> Main
CHEBI:32202 - tetracenomycin D3
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ChEBI Ontology
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ChEBI Name
tetracenomycin D3
ChEBI ID
CHEBI:32202
Definition
A tetracenomycin that is 1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H12O8
Net Charge
0
Average Mass
380.30448
Monoisotopic Mass
380.05322
InChI
InChI=1S/C20H12O8/c1-
6-
13-
7(3-
11(22)
14(6)
20(27)
28)
2-
9-
16(18(13)
25)
19(26)
15-
10(17(9)
24)
4-
8(21)
5-
12(15)
23/h2-
5,21-
23,25H,1H3,(H,27,28)
InChIKey
OXCNORDLEQIUCT-UHFFFAOYSA-N
SMILES
Cc1c(C(O)=O)c(O)cc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
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
tetracenomycin
)
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
tetracenomycin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tetracenomycin D3 (
CHEBI:32202
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
tetracenomycin D3 (
CHEBI:32202
)
is a
phenols (
CHEBI:33853
)
tetracenomycin D3 (
CHEBI:32202
)
is a
tetracenequinones (
CHEBI:51286
)
tetracenomycin D3 (
CHEBI:32202
)
is a
tetracenomycin (
CHEBI:48132
)
tetracenomycin D3 (
CHEBI:32202
)
is conjugate acid of
tetracenomycin D3(1−) (
CHEBI:74934
)
Incoming
tetracenomycin D3 methyl ester (
CHEBI:32203
)
has functional parent
tetracenomycin D3 (
CHEBI:32202
)
tetracenomycin D3(1−) (
CHEBI:74934
)
is conjugate base of
tetracenomycin D3 (
CHEBI:32202
)
IUPAC Name
3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid
Synonyms
Sources
Tetracenomycin D(3)
ChemIDplus
Tetracenomycin D3
KEGG COMPOUND
Manual Xrefs
Databases
C00017937
KNApSAcK
C12368
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
117241-61-9
CAS Registry Number
ChemIDplus
8807953
Reaxys Registry Number
Reaxys
Citation
Type
Source
3170342
PubMed citation
Europe PMC
Last Modified
28 July 2014