KEGG   COMPOUND: C02497
Entry
C02497                      Compound                               
Name
2-Butyne-1,4-diol;
1,4-Butynediol
Formula
C4H6O2
Exact mass
86.0368
Mol weight
86.0892
Structure
Reaction
R03963
Enzyme
1.1.1.165
Other DBs
CAS: 110-65-6
PubChem: 5509
ChEBI: 16413
3DMET: B00451
NIKKAJI: J5.098I
LinkDB
KCF data

ATOM        6
            1   C3b C    17.8041  -14.4219
            2   C3b C    19.0159  -15.1181
            3   C1b C    16.5854  -15.1181
            4   C1b C    20.2346  -14.4219
            5   O1a O    15.3735  -14.4219
            6   O1a O    21.4465  -15.1181
BOND        5
            1     1   2 3
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1

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