KEGG   COMPOUND: C16521Help
Entry
C16521                      Compound                               

Name
Isoprene;
2-Methyl-1,3-butadiene
Formula
C5H8
Exact mass
68.0626
Mol weight
68.117
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00900  Terpenoid backbone biosynthesis
map01062  Biosynthesis of terpenoids and steroids
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Hemiterpenoids (C5)
   C16521  Isoprene
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C16521  Isoprene
BRITE hierarchy
Other DBs
CAS: 78-79-5
PubChem: 51090850
ChEBI: 35194
ChEMBL: CHEMBL1566132
KNApSAcK: C00046784
PDB-CCD: 61G[PDBj]
NIKKAJI: J1.958E
KCF data Show

ATOM        5
            1   C2c C    12.3200  -11.0600
            2   C2b C    13.5324  -11.7600
            3   C2a C    11.1076  -11.7600
            4   C1a C    12.3200   -9.6600
            5   C2a C    14.7279  -11.0696
BOND        4
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2

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