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

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variediene

	Properties	Image
MNX_ID	MNXM1129861
reference	chebi:177888
formula	C₂₀H₃₂
global charge	0
mol weight	272.476
InChIKey	IYERWQNZLUNKRO-VODJRPGGSA-N
InChI	InChI=1S/C20H32/c1-14-7-6-8-15(2)17-13-20(5)12-11-19(3,4)18(20)16(17)10-9-14/h7,16,18H,6,8-13H2,1-5H3/b14-7+,17-15-/t16-,18-,20-/m1/s1
SMILES	C/C1=C2\C[C@@]3(C)CCC(C)(C)[C@H]3[C@@H]2CC/C(C)=C/CC1

MNX internals

InChI (mnx)	InChI=1/C20H32/c1-14-7-6-8-15(2)17-13-20(5)12-11-19(3,4)18(20)16(17)10-9-14/h7,16,18H,6,8-13H2,1-5H3/b14-7+,17-15-/t16-,18-,20-/m1/s1
SMILES (mnx)	[CH3:1]/[C:14]1=[CH:7]\[CH2:6][CH2:8]/[C:15]([CH3:2])=[C:17]2/[CH2:13][C@@:20]3([CH3:5])[CH2:12][CH2:11][C:19]([CH3:3])([CH3:4])[C@H:18]3[C@@H:16]2[CH2:10][CH2:9]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:177888 chebi:177888 IYERWQNZLUNKRO-VODJRPGGSA-N	variediene [3aR,3bS,6E,10(10a)Z,11aR]-3,3,6,10,11a-pentamethyl-2,3,3a,3b,4,5,8,9,11,11a-decahydro-1H-cyclonona[a]pentalene
kegg.compound:C22844 keggC:C22844 IYERWQNZLUNKRO-VODJRPGGSA-N	Variediene (3aR,3bS,6E,10Z,11aR)-3,3,6,10,11a-Pentamethyl-2,3,3a,3b,4,5,8,9,11,11a-decahydro-1H-cyclonona[a]pentalene
keggC:M_C22844	secondary/obsolete/fantasy identifier