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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32287 - Valacillin (TN)
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ChEBI Ontology
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ChEBI Name
Valacillin (TN)
ChEBI ID
CHEBI:32287
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formulae
C21H24ClN3O7S
C21H24N3O7S.Cl
Net Charge
0
Average Mass
497.951
Monoisotopic Mass
497.10235
InChI
InChI=1S/C21H23N3O7S.ClH/c1-
10-
12(31-
20(28)
30-
10)
9-
29-
19(27)
15-
21(2,3)
32-
18-
14(17(26)
24(15)
18)
23-
16(25)
13(22)
11-
7-
5-
4-
6-
8-
11;/h4-
8,13-
15,18H,9,22H2,1-
3H3,(H,23,25)
;1H/t13-
,14-
,15+,18-
;/m1./s1
InChIKey
FXXSETTYJSGMCR-GLCLSGQWSA-N
SMILES
[C@H]1(C(N2[C@@]1(SC([C@@H]2C(OCC3=C(OC(O3)=O)C)=O)(C)C)[H])=O)NC(=O)[C@@H](C4=CC=CC=C4)N.Cl
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Valacillin (TN) (
CHEBI:32287
)
is a
peptide (
CHEBI:16670
)
Synonyms
Sources
Kbt 1585
KEGG COMPOUND
Lenampicillin hydrochloride
KEGG COMPOUND
Valacillin (TN)
KEGG COMPOUND
Manual Xref
Database
D01696
KEGG DRUG
View more database links
Registry Number
Type
Source
80734-02-7
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017