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(Q81976641)
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Muconic acid
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
142.026608672
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₆O₄
0 references
canonical SMILES
O=C(O)C=CC=CC(=O)O
0 references
found in taxon
Rhodococcus erythropolis
2 references
stated in
Metabolism of Aniline by Rhodococcus erythropolis AN–13
stated in
Metabolism of aniline by Rhodococcus erythropolis AN-13.
Pseudomonas putida
1 reference
stated in
Crystal structure of 3-carboxy-cis,cis-muconate lactonizing enzyme from Pseudomonas putida, a fumarase class II type cycloisomerase: enzyme evolution in parallel pathways
Identifiers
InChI
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)
0 references
InChIKey
TXXHDPDFNKHHGW-UHFFFAOYSA-N
0 references
CAS Registry Number
505-70-4
1 reference
InChIKey
TXXHDPDFNKHHGW-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=505-70-4
PubChem CID
310
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
TXXHDPDFNKHHGW-UHFFFAOYSA-N
ChEBI ID
38407
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)
SureChEMBL ID
SCHEMBL2726
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TXXHDPDFNKHHGW-UHFFFAOYSA-N
UniChem compound ID
25429084
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS064601
1 reference
InChIKey
TXXHDPDFNKHHGW-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-PS064603
1 reference
InChIKey
TXXHDPDFNKHHGW-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-PS064607
1 reference
InChIKey
TXXHDPDFNKHHGW-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-PS064602
1 reference
InChIKey
TXXHDPDFNKHHGW-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
DTXSID8049674
1 reference
matched by identifier from
InChIKey
InChIKey
TXXHDPDFNKHHGW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID6031257
0 references
NSC number
16627
0 references
Human Metabolome Database ID
HMDB0062661
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TXXHDPDFNKHHGW-UHFFFAOYSA-N
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