COMPOUND: C16521
Entry
C16521 Compound
Name
Isoprene;
2-Methyl-1,3-butadiene
Formula
C5H8
Exact mass
68.0626
Mol weight
68.117
Structure
Reaction
R08199
Pathway
map00900
Terpenoid backbone biosynthesis
map01062
Biosynthesis of terpenoids and steroids
map01110
Biosynthesis of secondary metabolites
Enzyme
4.2.3.27
Brite
Phytochemical compounds [BR:
br08003
]
Terpenoids
Hemiterpenoids (C5)
C16521 Isoprene
Carcinogens [BR:
br08008
]
Group 2B: Possibly carcinogenic to humans
Compounds
C16521 Isoprene
Other DBs
CAS:
78-79-5
PubChem:
51090850
ChEBI:
35194
ChEMBL:
CHEMBL1566132
KNApSAcK:
C00046784
PDB-CCD:
61G
[
PDBj
]
NIKKAJI:
J1.958E
LinkDB
KCF data
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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