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ChEBI
> Main
CHEBI:138813 - 5-Oxoavermectin "2a" aglycone
Main
ChEBI Ontology
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ChEBI Name
5-Oxoavermectin "2a" aglycone
ChEBI ID
CHEBI:138813
Stars
This entity has been manually annotated by a third party.
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Formula
C33H46O9
Net Charge
0
Average Mass
586.714
Monoisotopic Mass
586.31418
InChI
InChI=1S/C33H46O9/c1-
17(2)
29-
21(6)
26(34)
15-
32(42-
29)
14-
24-
13-
23(41-
32)
11-
10-
19(4)
27(35)
18(3)
8-
7-
9-
22-
16-
39-
30-
28(36)
20(5)
12-
25(31(37)
40-
24)
33(22,30)
38/h7-
10,12,17-
18,21,23-
27,29-
30,34-
35,38H,11,13-
16H2,1-
6H3/b8-
7+,19-
10+,22-
9+/t18-
,21-
,23+,24-
,25-
,26-
,27-
,29+,30+,32-
,33+/m0/s1
InChIKey
XPKKFLVMJSAYAI-MEQIXVRQSA-N
SMILES
[C@]
12(C[C@H]
(O)
[C@H]
(C)
[C@@H]
(C(C)
C)
O1)
C[C@@H]
3C[C@H]
(O2)
CC=C([C@H]
([C@H]
(C=CC=C4[C@]
5([C@H]
(C(=O)
O3)
C=C(C([C@]
5(OC4)
[H]
)
=O)
C)
O)
C)
O)
C
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via
milbemycin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-Oxoavermectin "2a" aglycone (
CHEBI:138813
)
is a
milbemycin (
CHEBI:50345
)
Manual Xref
Database
C11954
KEGG COMPOUND
View more database links
Last Modified
25 October 2017