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(Q82191941)
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5-(3-amino-3-carboxypropylthio)pentanoic acid
chemical compound
cbhcy
5-[(3-Amino-3-carboxypropyl)sulfanyl]pentanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
235.302
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₇NO₄S
0 references
canonical SMILES
C(CCSCCC(C(=O)O)N)CC(=O)O
0 references
Identifiers
InChI
InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)
0 references
InChIKey
BMONDXDFXRPNKQ-UHFFFAOYSA-N
0 references
CAS Registry Number
88096-02-0
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88096-03-1
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
S-(3-carboxypropyl)homocysteine
0 references
PubChem CID
3518587
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEMBL ID
CHEMBL211229
0 references
UniChem compound ID
624046
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00393247
0 references
DTXSID301007933
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DSSTOX compound identifier
DTXCID90344107
0 references
DTXCID90822394
0 references
Human Metabolome Database ID
HMDB0249714
1 reference
based on heuristic
inferred from InChIKey
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