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(Q105103073)
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English
2-[(3-amino-1-hydroxypropylidene)amino]-3-(3H-imidazol-4-yl)propanoic acid
group of stereoisomers with the chemical formula C₉H₁₄N₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
226.2328
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₄N₄O₃
0 references
canonical SMILES
NCCC(=O)NC(Cc1cnc[nH]1)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)
0 references
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
0 references
CAS Registry Number
108333-82-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS012701
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS012702
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS012703
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS012704
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS012705
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS012707
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS097801
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS097802
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS097803
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS097804
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS097807
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT101270
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT109780
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT201270
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML81580
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML81581
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS097805
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT101273
1 reference
InChIKey
CQOVPNPJLQNMDC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0256117
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD063194
0 references
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