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L-cystathionine dizwitterion
chemical compound
(2R)-2-azaniumyl-4-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}butanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
S-(2-Amino-2-carboxyethyl)-D-homocysteine
1 reference
based on heuristic
inferred from SMILES
part of
cystathionine beta-lyase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
cystathionine gamma-lyase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
cystathionine beta-synthase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
cystathionine gamma-synthase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
222.067427928
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
D-allocystathionine
1 reference
based on heuristic
inferred from InChI
allocystathionine
1 reference
based on heuristic
inferred from InChI
L-cystathionine
1 reference
based on heuristic
inferred from InChI
tautomer of
L-cystathionine
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₇H₁₄N₂O₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CCSCC(N)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
56-88-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
ChEBI ID
58161
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
MassBank accession ID
MSBNK-BGC_Munich-RP014601
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-BGC_Munich-RP014602
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-BGC_Munich-RP014603
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-BGC_Munich-RP014611
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-BGC_Munich-RP014612
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002572
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002576
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO008910
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002574
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002573
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO002575
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO008911
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR010026
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR100113
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR100114
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR100535
1 reference
InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Cannabis Database ID
005143
1 reference
stated in
Cannabis Database
Human Metabolome Database ID
HMDB0000099
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD018200
0 references
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