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(Q63390520)
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English
(4R)-2-methylpentane-2,4-diol
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
118.099379688
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(4r)-2-Methylpentane-2,4-Diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₆H₁₄O₂
0 references
canonical SMILES
CC(CC(C)(C)O)O
1 reference
stated in
RCSB protein data bank
PDB ligand ID
MRD
language of work or name
English
retrieved
16 February 2021
isomeric SMILES
C[C@H](CC(C)(C)O)O
0 references
Identifiers
InChI
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1
0 references
InChIKey
SVTBMSDMJJWYQN-RXMQYKEDSA-N
0 references
PubChem CID
5288845
1 reference
matched by identifier from
InChIKey
InChIKey
SVTBMSDMJJWYQN-RXMQYKEDSA-N
UniChem compound ID
646471
1 reference
stated in
UniChem
Probes And Drugs ID
PD132618
0 references
PDB ligand ID
MRD
0 references
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