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> Main
CHEBI:66478 - Sg17-1-4
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ChEBI Ontology
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ChEBI Name
Sg17-1-4
ChEBI ID
CHEBI:66478
Definition
A member of the class of isocoumarins isolated from the marine fungus
Alternaria tenuis
and has been shown to exhibit cytotoxic activities.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H34N2O9
Net Charge
0
Average Mass
494.53480
Monoisotopic Mass
494.22643
InChI
InChI=1S/C24H34N2O9/c1-
11(2)
8-
14(17-
9-
13-
6-
5-
7-
16(27)
19(13)
23(32)
34-
17)
26-
22(31)
21(30)
20(29)
15-
10-
18(28)
35-
24(4,33)
12(3)
25-
15/h5-
7,11-
12,14-
15,17,20-
21,25,27,29-
30,33H,8-
10H2,1-
4H3,(H,26,31)
/t12-
,14-
,15-
,17-
,20-
,21-
,24?/m0/s1
InChIKey
VWEGLEKHUIRPCH-BGAXJHJKSA-N
SMILES
[H][C@]1(CC(=O)OC(C)(O)[C@H](C)N1)[C@H](O)[C@H](O)C(=O)N[C@@H](CC(C)C)[C@]1([H])Cc2cccc(O)c2C(=O)O1
Metabolite of Species
Details
Alternaria tenuis
(NCBI:txid509205)
of strain SG 17-1 See:
PubMed
Roles Classification
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Sg17-1-4 (
CHEBI:66478
)
has role
antineoplastic agent (
CHEBI:35610
)
Sg17-1-4 (
CHEBI:66478
)
has role
fungal metabolite (
CHEBI:76946
)
Sg17-1-4 (
CHEBI:66478
)
has role
marine metabolite (
CHEBI:76507
)
Sg17-1-4 (
CHEBI:66478
)
is a
isocoumarins (
CHEBI:38758
)
Sg17-1-4 (
CHEBI:66478
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
Sg17-1-4 (
CHEBI:66478
)
is a
secondary alcohol (
CHEBI:35681
)
Sg17-1-4 (
CHEBI:66478
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(2
S
,3
S
)-
2,3-
dihydroxy-
3-
[(3
S
,5
S
)-
2-
hydroxy-
2,3-
dimethyl-
7-
oxo-
1,4-
oxazepan-
5-
yl]-
N
-
{(1
S
)-
1-
[(3
S
)-
8-
hydroxy-
1-
oxo-
3,4-
dihydro-
1
H
-
isochromen-
3-
yl]-
3-
methylbutyl}propanamide
Manual Xref
Database
CN101029047
Patent
View more database links
Registry Number
Type
Source
10741764
Reaxys Registry Number
Reaxys
Citation
Type
Source
16915820
PubMed citation
Europe PMC
Last Modified
06 March 2014