COMPOUND: C03044
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Entry
C03044 Compound
Name
(R,R)-Butane-2,3-diol;
(R,R)-2,3-Butanediol;
(R,R)-2,3-Butylene glycol
Formula
C4H10O2
Exact mass
90.0681
Mol weight
90.12
Structure
Mol file
KCF file
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Reaction
R02946
Pathway
map00650
Butanoate metabolism
map01110
Biosynthesis of secondary metabolites
Enzyme
1.1.1.4
Other DBs
CAS:
24347-58-8
PubChem:
5947
ChEBI:
16982
PDB-CCD:
BU3
[
PDBj
]
NIKKAJI:
J9.308D
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KCF data
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ATOM 6
1 C1c C 17.8054 -14.4226
2 C1c C 19.0146 -15.1174
3 C1a C 16.5894 -15.1174
4 O1a O 17.8054 -13.0203
5 C1a C 20.2306 -14.4226
6 O1a O 19.0146 -16.5197
BOND 5
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
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