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

Feedback

(-)-germacrene D

	Properties	Image
MNX_ID	MNXM733878
reference	chebi:49044
formula	C₁₅H₂₄
global charge	0
mol weight	204.357
InChIKey	GAIBLDCXCZKKJE-RXJOXMPGSA-N
InChI	InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1
SMILES	C=C1/C=C/[C@H](C(C)C)CC/C(C)=C/CC1

MNX internals

InChI (mnx)	InChI=1/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1
SMILES (mnx)	[CH3:1][CH:12]([CH3:2])[C@H:15]1/[CH:10]=[CH:8]/[C:13](=[CH2:3])[CH2:6][CH2:5]/[CH:7]=[C:14](\[CH3:4])[CH2:9][CH2:11]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49044 chebi:49044 GAIBLDCXCZKKJE-RXJOXMPGSA-N	(-)-germacrene D (-)-Germacrene D (1E,5E)-germacra-1(10),4(15),5-triene (1E,6E,8S)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene (1E,6E,8S)-1-methyl-8-(1-methylethyl)-5-methylidenecyclodeca-1,6-diene (1E,6E,8S)-8-isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene
kegg.compound:C16142 keggC:C16142 GAIBLDCXCZKKJE-RXJOXMPGSA-N	(-)-Germacrene D
seed.compound:cpd14863 seedM:cpd14863 GAIBLDCXCZKKJE-RXJOXMPGSA-N	(-)-Germacrene D (-)-(7S)-germacrene-D (-)-(S)-germacrene D (-)-germacrene D (1E,6E,8S)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene
metacyc.compound:CPD-8746 metacycM:CPD-8746 GAIBLDCXCZKKJE-RXJOXMPGSA-N	(-)-germacrene D (-)-(7S)-germacrene-D (-)-(S)-germacrene D (1E,6E,8S)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene
hmdb:HMDB0302240 GAIBLDCXCZKKJE-RXJOXMPGSA-N	Germacrene D (-)-Germacrene D (-)-germacrene D (1E,6E,8S)-1-Methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene (1E,6E,8S)-1-Methyl-8-(1-methylethyl)-5-methylidenecyclodeca-1,6-diene (1E,6E,8S)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene (1E,6E,8S)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene Germacrene D, (S-(e,e))-isomer
keggC:M_C16142 seedM:M_cpd14863	secondary/obsolete/fantasy identifier