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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:66262 - trierixin
Main
ChEBI Ontology
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ChEBI Name
trierixin
ChEBI ID
CHEBI:66262
Definition
A 21-membered macrocycle isolated from the fermentation broth of
Streptomyces
sp.AC654. It exhibits antineoplastic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C37H52N2O8S
Net Charge
0
Average Mass
684.88200
Monoisotopic Mass
684.34444
InChI
InChI=1S/C37H52N2O8S/c1-
23-
15-
14-
18-
27-
21-
29(40)
35(48-
5)
32(34(27)
43)
39-
31(41)
22-
28(46-
4)
19-
12-
7-
6-
8-
13-
20-
30(24(2)
33(23)
42)
47-
37(45)
25(3)
38-
36(44)
26-
16-
10-
9-
11-
17-
26/h6-
8,12-
13,15,19,21,24-
26,28,30,33,40,42-
43H,9-
11,14,16-
18,20,22H2,1-
5H3,(H,38,44)
(H,39,41)
/b7-
6+,13-
8+,19-
12+,23-
15-
InChIKey
JYAJEGBJMODZBK-GTRHLNJYSA-N
SMILES
COC1CC(=O)Nc2c(O)c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C(C)NC(=O)C1CCCCC1)cc(O)c2SC
Metabolite of Species
Details
Streptomyces
sp.
(NCBI:txid1931)
of strain AC 654 See:
PubMed
Roles Classification
Biological Role
(s):
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
trierixin (
CHEBI:66262
)
has role
antimicrobial agent (
CHEBI:33281
)
trierixin (
CHEBI:66262
)
has role
antineoplastic agent (
CHEBI:35610
)
trierixin (
CHEBI:66262
)
has role
metabolite (
CHEBI:25212
)
trierixin (
CHEBI:66262
)
is a
aryl sulfide (
CHEBI:35683
)
trierixin (
CHEBI:66262
)
is a
carboxylic ester (
CHEBI:33308
)
trierixin (
CHEBI:66262
)
is a
ether (
CHEBI:25698
)
trierixin (
CHEBI:66262
)
is a
hydroquinones (
CHEBI:24646
)
trierixin (
CHEBI:66262
)
is a
lactam (
CHEBI:24995
)
trierixin (
CHEBI:66262
)
is a
macrocycle (
CHEBI:51026
)
trierixin (
CHEBI:66262
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(6
E
,8
E
,10
E
,16
Z
)-
15,22,24-
trihydroxy-
5-
methoxy-
14,16-
dimethyl-
23-
(methylsulfanyl)-
3-
oxo-
2-
azabicyclo[18.3.1]tetracosa-
1(24),6,8,10,16,20,22-
heptaen-
13-
yl
N
-
(cyclohexylcarbonyl)alaninate
Citations
Types
Sources
17917237
PubMed citation
Europe PMC
17917242
PubMed citation
Europe PMC
21448188
PubMed citation
Europe PMC
Last Modified
05 November 2013