MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(+)-alpha-thujene

MNXM15961 is deprecated and here replaced by MNXM1371219
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371219
reference	chebi:50032
formula	C₁₀H₁₆
global charge	0
mol weight	136.238
InChIKey	KQAZVFVOEIRWHN-UWVGGRQHSA-N
InChI	InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m0/s1
SMILES	CC1=CC[C@@]2(C(C)C)C[C@@H]12

MNX internals

InChI (mnx)	InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m0/s1
SMILES (mnx)	[CH3:1][CH:7]([CH3:2])[C@@:10]12[CH2:5][CH:4]=[C:8]([CH3:3])[C@@H:9]1[CH2:6]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50032 chebi:50032 KQAZVFVOEIRWHN-UWVGGRQHSA-N	(+)-alpha-thujene (1S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene (1S,5R)-5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene
seed.compound:cpd24546 seedM:cpd24546 KQAZVFVOEIRWHN-UWVGGRQHSA-N	(+)-(1S)-alpha-thujene (+)-alpha-thujene (1S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene alpha-thujene
metacyc.compound:CPD-4894 metacycM:CPD-4894 KQAZVFVOEIRWHN-UWVGGRQHSA-N	(+)-alpha-thujene (1S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene
lipidmaps:LMPR0102120037 lipidmapsM:LMPR0102120037 KQAZVFVOEIRWHN-UWVGGRQHSA-N	(+)-alpha-thujene (1S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene (1S,5R)-thuj-2-ene (1S,5R)-5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene
hmdb:HMDB0036116 KQAZVFVOEIRWHN-UHFFFAOYSA-N	(-)-3-Thujene (+/-)-a-thujene (+/-)-alpha-thujene (-)-alpha-Thujene (1R,5S)-2-Methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene (1R,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene (1R,5S)-Thuj-2-ene 2-Methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene 2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene 5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene Origanene a-Thuiene a-Thujen a-Thujene alpha-Thuiene alpha-Thujen alpha-Thujene alpha-thuiene alpha-thujen alpha-thujene
CHEBI:50031 chebi:50031 KQAZVFVOEIRWHN-UHFFFAOYSA-N	alpha-thujene 2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene 2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene 5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene alpha-Thujen alpha-thuiene origanene
hmdb:HMDB36116 seedM:M_cpd24546	secondary/obsolete/fantasy identifier