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(Q2823840)
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English
acetylleucine
chemical stereoisomers
N-Acetylleucine
N-Acetyl-DL-leucine
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
173.21
dalton
1 reference
stated in
PubChem
PubChem CID
1995
retrieved
23 September 2021
chemical formula
C₈H₁₅NO₃
1 reference
stated in
PubChem
canonical SMILES
CC(C)CC(NC(C)=O)C(O)=O
1 reference
imported from Wikimedia project
English Wikipedia
Identifiers
InChI
InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
1 reference
stated in
PubChem
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
1 reference
stated in
PubChem
CAS Registry Number
99-15-0
2 references
imported from Wikimedia project
English Wikipedia
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=99-15-0
ChemSpider ID
1918
1 reference
imported from Wikimedia project
English Wikipedia
PubChem CID
1995
2 references
imported from Wikimedia project
English Wikipedia
matched by identifier from
InChIKey
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
5231552
1 reference
matched by identifier from
InChIKey
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
Reaxys registry number
1724849
0 references
Gmelin number
985259
0 references
ChEBI ID
166830
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
SureChEMBL ID
SCHEMBL282371
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
UniChem compound ID
1141955
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309412
1 reference
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR309413
1 reference
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID40859594
1 reference
matched by identifier from
InChIKey
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
NSC number
122020
0 references
758152
0 references
EC number
202-734-9
1 reference
imported from Wikimedia project
English Wikipedia
ECHA Substance Infocard ID
100.002.486
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.002.486
retrieved
27 December 2018
title
N-acetyl-DL-leucine
(English)
quotation
CAS no.: 99-15-0
(English)
DrugBank ID
13226
1 reference
stated in
DrugBank
DrugBank ID
13226
retrieved
6 July 2021
quotation
CAS no.: 99-15-0
(English)
title
Acetylleucine
(English)
DB13226
1 reference
matched by identifier from
InChIKey
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0011756
0 references
UNII
K76S41V71X
1 reference
matched by identifier from
InChIKey
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
Probes And Drugs ID
PD011999
0 references
DrugCentral ID
71
1 reference
stated in
UniChem
KEGG ID
D07350
1 reference
imported from Wikimedia project
English Wikipedia
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