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(Q106345649)
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English
anserine zwitterion
chemical compound
(2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate
In more languages
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No label defined
No description defined
edit
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
carnosine N-methyltransferase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
240.122240372
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
anserine
1 reference
based on heuristic
inferred from InChI
tautomer of
anserine
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₁₀H₁₆N₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cn1cncc1CC(N=C(O)CCN)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O
1 reference
based on heuristic
inferred from InChI
subject has role
primary metabolite
1 reference
stated in
Reactome
reference URL
https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT
Identifiers
InChI
InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
584-85-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
112072
1 reference
matched by identifier from
InChIKey
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
6992114
1 reference
matched by identifier from
InChIKey
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
ChEBI ID
58445
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
18323
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
SureChEMBL ID
SCHEMBL34255
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
MassBank accession ID
MSBNK-Keio_Univ-KO000229
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO000231
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002329
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002331
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO008819
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO008822
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO000228
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO000230
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO000232
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002328
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO008821
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO008820
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002330
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002332
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO008823
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR100392
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR100845
1 reference
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID30973950
1 reference
matched by identifier from
InChIKey
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
Human Metabolome Database ID
HMDB0000194
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
UNII
HDQ4N37UGV
1 reference
matched by identifier from
InChIKey
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
Probes And Drugs ID
PD101891
0 references
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