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English
(S)-butane-1,3-diol
chemical compound
(S)-(+)-Butane-1,3-diol
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
90.06807956
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(R)-butane-1,3-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₄H₁₀O₂
0 references
canonical SMILES
CC(CCO)O
1 reference
stated in
RCSB protein data bank
PDB ligand ID
BU2
language of work or name
English
retrieved
16 February 2021
isomeric SMILES
C[C@@H](CCO)O
0 references
Identifiers
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
0 references
InChIKey
PUPZLCDOIYMWBV-BYPYZUCNSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
24621-61-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
446973
1 reference
matched by identifier from
InChIKey
InChIKey
PUPZLCDOIYMWBV-BYPYZUCNSA-N
ChEBI ID
52688
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
UniChem compound ID
642829
1 reference
stated in
UniChem
DrugBank ID
DB02202
1 reference
matched by identifier from
InChIKey
InChIKey
PUPZLCDOIYMWBV-BYPYZUCNSA-N
Probes And Drugs ID
PD008135
0 references
PDB ligand ID
BU2
0 references
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