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(Q105236955)
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English
2-hydroxy-3-methylvaleric acid
group of stereoisomers with the chemical formula C₆H₁₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
fatty alcohol
1 reference
inferred from
fatty alcohol
fatty acid
1 reference
inferred from
fatty acid
mass
132.1579
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₂O₃
0 references
canonical SMILES
O=C(O)C(O)C(C)CC
0 references
Identifiers
InChI
InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
0 references
InChIKey
RILPIWOPNGRASR-UHFFFAOYSA-N
0 references
CAS Registry Number
488-15-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
164623
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RILPIWOPNGRASR-UHFFFAOYSA-N
ChEBI ID
133083
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
SureChEMBL ID
SCHEMBL458648
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RILPIWOPNGRASR-UHFFFAOYSA-N
UniChem compound ID
26909366
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70862016
1 reference
matched by identifier from
InChIKey
InChIKey
RILPIWOPNGRASR-UHFFFAOYSA-N
KNApSAcK ID
C00052119
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RILPIWOPNGRASR-UHFFFAOYSA-N
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