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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:81042 - OA-6129 D
Main
ChEBI Ontology
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ChEBI Name
OA-6129 D
ChEBI ID
CHEBI:81042
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C20H33N3O8S
Net Charge
0
Average Mass
475.558
Monoisotopic Mass
475.19884
InChI
InChI=1S/C20H33N3O8S/c1-
10(25)
14-
11-
8-
12(15(19(30)
31)
23(11)
18(14)
29)
32-
7-
6-
21-
13(26)
4-
5-
22-
17(28)
16(27)
20(2,3)
9-
24/h10-
12,14-
16,24-
25,27H,4-
9H2,1-
3H3,(H,21,26)
(H,22,28)
(H,30,31)
/t10?,11-
,12+,14+,15-
,16+/m1/s1
InChIKey
IDHUQZYNJINFBS-VWLVWCDXSA-N
SMILES
N12[C@@]([C@](C(C)O)(C1=O)[H])(C[C@@H]([C@@H]2C(O)=O)SCCNC(CCNC([C@@H](C(CO)(C)C)O)=O)=O)[H]
Roles Classification
Biological Role
(s):
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via
carbapenems
)
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
heterocyclic antibiotic
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
OA-6129 D (
CHEBI:81042
)
is a
carbapenems (
CHEBI:46633
)
IUPAC Name
(2
S
,3
S
,5
R
,6
R
)-
3-
{[2-
({
N
-
[(2
R
)-
2,4-
dihydroxy-
3,3-
dimethylbutanoyl]-
β-
alanyl}amino)ethyl]sulfanyl}-
6-
(1-
hydroxyethyl)-
7-
oxo-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
Manual Xref
Database
C17375
KEGG COMPOUND
View more database links
Registry Number
Type
Source
85414-25-1
CAS Registry Number
KEGG COMPOUND
Last Modified
07 August 2018