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

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juvenile hormone I carboxylate

	Properties	Image
MNX_ID	MNXM146575
reference	chebi:87109
formula	C₁₇H₂₇O₃
global charge	-1
mol weight	279.4
InChIKey	NOBXVLJGTXXXFP-JFYQMXRCSA-M
InChI	InChI=1S/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/p-1/b13-12+,14-9+/t15-,17+/m1/s1
SMILES	CC/C(=C\CC/C(C)=C/C(=O)[O-])CC[C@H]1O[C@@]1(C)CC

MNX internals

InChI (mnx)	InChI=1/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/b13-12+,14-9+/t15-,17+/m1/s1
SMILES (mnx)	[CH3:1][CH2:5]/[C:14](=[CH:9]\[CH2:7][CH2:8]/[C:13]([CH3:3])=[CH:12]/[C:16](=[O:18])[OH:19])[CH2:10][CH2:11][C@@H:15]1[C@:17]([CH3:4])([CH2:6][CH3:2])[O:20]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:87109 chebi:87109 NOBXVLJGTXXXFP-JFYQMXRCSA-M	juvenile hormone I carboxylate (2E,6E)-7-ethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylnona-2,6-dienoate juvenile hormone I acid anion
seed.compound:cpd35561 seedM:cpd35561 NOBXVLJGTXXXFP-JFYQMXRCSA-M	(2E,6E)-10R,11S-(oxiranyl)-7-ethyl-3,11-dimethyl-2,6-tridecadienoate (2E,6E,10R,11S)-10,11-epoxy-7-ethyl-3,11-dimethyl-2,6-tridecadienoate juvenile hormone I acid juvenile hormone I carboxylate
kegg.compound:C20992 keggC:C20992 NOBXVLJGTXXXFP-JFYQMXRCSA-N	Juvenile hormone I acid (2E,6E,10R,11S)-10,11-Epoxy-7-ethyl-3,11-dimethyl-2,6-tridecadienoate
metacyc.compound:CPD-17900 metacycM:CPD-17900 NOBXVLJGTXXXFP-JFYQMXRCSA-M	juvenile hormone I acid (2E,6E)-10R,11S-(oxiranyl)-7-ethyl-3,11-dimethyl-2,6-tridecadienoate (2E,6E,10R,11S)-10,11-epoxy-7-ethyl-3,11-dimethyl-2,6-tridecadienoate juvenile hormone I carboxylate
CHEBI:87425 chebi:87425 NOBXVLJGTXXXFP-JFYQMXRCSA-N	juvenile hormone I acid (2E,6E)-7-ethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylnona-2,6-dienoic acid juvenile hormone I carboxylic acid
keggC:M_C20992 seedM:M_cpd35561	secondary/obsolete/fantasy identifier