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allocystathionine
chemical compound
(2S)-2-amino-4-(2-amino-2-carboxyethyl)sulanylbutanoic acid
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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
S-(2-Amino-2-carboxyethyl)-D-homocysteine
1 reference
based on heuristic
inferred from SMILES
mass
222.067427928
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
L-cystathionine dizwitterion
1 reference
based on heuristic
inferred from InChI
D-allocystathionine
1 reference
based on heuristic
inferred from InChI
L-cystathionine
1 reference
based on heuristic
inferred from InChI
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
NC(CSCC[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-ROLXFIACSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
61949-06-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10104953
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
165853
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
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
SureChEMBL ID
SCHEMBL81861
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ILRYLPWNYFXEMH-ROLXFIACSA-N
UniChem compound ID
23117886
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0000455
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ILRYLPWNYFXEMH-ROLXFIACSA-N
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