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

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sibirene

	Properties	Image
MNX_ID	MNXM6432
reference	chebi:49231
formula	C₁₅H₂₄
global charge	0
mol weight	204.357
InChIKey	ALUIZDJKPCNAGJ-UHFFFAOYSA-N
InChI	InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11,14H,3,5-9H2,1-2,4H3
SMILES	C=C1CCCC2(C)CCC(C(C)C)=CC12

MNX internals

InChI (mnx)	InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11,14H,3,5-9H2,1-2,4H3/t14?,15?
SMILES (mnx)	[CH3:1][CH:11]([CH3:2])[C:13]1=[CH:10][CH:14]2[C:12](=[CH2:3])[CH2:6][CH2:5][CH2:8][C:15]2([CH3:4])[CH2:9][CH2:7]1

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:49231 chebi:49231 ALUIZDJKPCNAGJ-UHFFFAOYSA-N	sibirene (5xi,10xi)-eudesma-4(14),6-diene 4a-methyl-7-(propan-2-yl)-1-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene 7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
metacyc.compound:CPD-8731 metacycM:CPD-8731 seed.compound:cpd25401 seedM:cpd25401 ALUIZDJKPCNAGJ-UHFFFAOYSA-N	sibirene
lipidmaps:LMPR0103190005 lipidmapsM:LMPR0103190005 ALUIZDJKPCNAGJ-UHFFFAOYSA-N	sibirene (5xi,10xi)-eudesma-4(14),6-diene 4a-methyl-7-(propan-2-yl)-1-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene 7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
seedM:M_cpd25401	secondary/obsolete/fantasy identifier