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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:7 - (+)-car-3-ene
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ChEBI Ontology
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ChEBI Name
(+)-car-3-ene
ChEBI ID
CHEBI:7
Definition
A car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has
S
configuration at position 1 and
R
configuration at position 6.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H16
Net Charge
0
Average Mass
136.23404
Monoisotopic Mass
136.12520
InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
InChIKey
BQOFWKZOCNGFEC-BDAKNGLRSA-N
SMILES
[H][C@@]12CC=C(C)C[C@]1([H])C2(C)C
ChEBI Ontology
Outgoing
(+)-car-3-ene (
CHEBI:7
)
is a
car-3-ene (
CHEBI:35661
)
(+)-car-3-ene (
CHEBI:7
)
is enantiomer of
(−)-car-3-ene (
CHEBI:3381
)
Incoming
(−)-car-3-ene (
CHEBI:3381
)
is enantiomer of
(+)-car-3-ene (
CHEBI:7
)
IUPAC Names
(1
S
,6
R
)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
1α,6α-car-3-ene
Synonyms
Sources
(+)-3-Carene
KEGG COMPOUND
(+)-α-carene
ChEBI
(+)-car-3-ene
UniProt
(+)-Δ
3
-carene
ChemIDplus
(1
S
)-(+)-3-carene
ChemIDplus
(1
S
)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
NIST Chemistry WebBook
(1
S
,6
R
)-(+)-3-carene
ChemIDplus
(
S
)-(+)-3-carene
ChemIDplus
Isodiprene
KEGG COMPOUND
Manual Xrefs
Databases
C00011044
KNApSAcK
C11382
KEGG COMPOUND
CPD-8756
MetaCyc
LMPR0102120021
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1902767
Beilstein Registry Number
Beilstein
1902767
Reaxys Registry Number
Reaxys
4229885
Beilstein Registry Number
Beilstein
498-15-7
CAS Registry Number
NIST Chemistry WebBook
498-15-7
CAS Registry Number
ChemIDplus
663435
Gmelin Registry Number
Gmelin
Citations
Types
Sources
22183881
PubMed citation
Europe PMC
22277889
PubMed citation
Europe PMC
8373196
PubMed citation
Europe PMC
Last Modified
21 January 2015