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(Q106345594)
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English
anticapsin zwitterion
chemical compound
(2S)-2-azaniumyl-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]propanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
L-amino-acid alpha-ligase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
199.084457896
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Anticapsin
1 reference
based on heuristic
inferred from InChI
anticapsin
1 reference
based on heuristic
inferred from InChI
tautomer of
anticapsin
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₉H₁₃NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CC1CCC(=O)C2OC12)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
KHVZXXWDPSCGEK-MGVQOFIGSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
28978-07-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
ChEBI ID
84310
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
Natural Product Atlas ID
NPA021213
1 reference
based on heuristic
inferred from InChIKey
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