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(Q63395383)
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(R)-S-lactoylglutathione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
S-Lactoylglutathione
0 references
mass
379.104935632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₁N₃O₈S
0 references
canonical SMILES
CC(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O
0 references
isomeric SMILES
C[C@H](C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
0 references
found in taxon
Homo sapiens
2 references
stated in
Recon 2.2: from reconstruction to model of human metabolism
stated in
A community-driven global reconstruction of human metabolism.
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/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)/t6-,7+,8+/m1/s1
0 references
InChIKey
VDYDCVUWILIYQF-CSMHCCOUSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
440018
1 reference
matched by identifier from
InChIKey
InChIKey
VDYDCVUWILIYQF-CSMHCCOUSA-N
ChEBI ID
15694
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
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)/t6-,7+,8+/m1/s1
SureChEMBL ID
SCHEMBL850658
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VDYDCVUWILIYQF-CSMHCCOUSA-N
UniChem compound ID
1066488
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Keio_Univ-KO003297
0 references
MSBNK-Keio_Univ-KO003298
0 references
MSBNK-Keio_Univ-KO003299
0 references
MSBNK-Keio_Univ-KO003300
0 references
MSBNK-Keio_Univ-KO003301
0 references
MSBNK-Keio_Univ-KO009024
0 references
MSBNK-Keio_Univ-KO009025
0 references
MSBNK-Keio_Univ-KO009026
0 references
MSBNK-Keio_Univ-KO009027
0 references
MSBNK-Keio_Univ-KO009028
0 references
MSBNK-Keio_Univ-KO009029
0 references
MSBNK-Keio_Univ-KO009030
0 references
MSBNK-RIKEN-PR100314
0 references
MSBNK-RIKEN-PR100746
0 references
MSBNK-Keio_Univ-KO001290
0 references
MSBNK-Keio_Univ-KO001291
0 references
MSBNK-Keio_Univ-KO001292
0 references
MSBNK-Keio_Univ-KO001293
0 references
MSBNK-Keio_Univ-KO001294
0 references
Cannabis Database ID
004880
1 reference
stated in
Cannabis Database
Human Metabolome Database ID
HMDB0001066
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VDYDCVUWILIYQF-CSMHCCOUSA-N
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