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(Q110173728)
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English
(R)-S-lactoylglutathionate anion
group of stereoisomers with the chemical formula C₁₃H₂₁N₃O₈S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
379.104935632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₁N₃O₈S
0 references
canonical SMILES
O=C(O)CNC(=O)C(NC(=O)CCC(N)C(=O)O)CSC(=O)C(O)C
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)
0 references
InChIKey
VDYDCVUWILIYQF-UHFFFAOYSA-N
0 references
PubChem CID
1083
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL940513
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VDYDCVUWILIYQF-UHFFFAOYSA-N
UniChem compound ID
27156020
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS068301
1 reference
InChIKey
VDYDCVUWILIYQF-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-PS068302
1 reference
InChIKey
VDYDCVUWILIYQF-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-PS068305
1 reference
InChIKey
VDYDCVUWILIYQF-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-PT106830
1 reference
InChIKey
VDYDCVUWILIYQF-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-PT206830
1 reference
InChIKey
VDYDCVUWILIYQF-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-PS068303
1 reference
InChIKey
VDYDCVUWILIYQF-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-PS068306
1 reference
InChIKey
VDYDCVUWILIYQF-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
DTXSID50865181
1 reference
matched by identifier from
InChIKey
InChIKey
VDYDCVUWILIYQF-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0062624
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VDYDCVUWILIYQF-UHFFFAOYSA-N
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