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

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juvenile hormone III carboxylate

	Properties	Image
MNX_ID	MNXM3627
reference	chebi:83274
formula	C₁₅H₂₃O₃
global charge	-1
mol weight	251.346
InChIKey	DIAZNFMKLJLDNM-AQAKBEBOSA-M
InChI	InChI=1S/C15H24O3/c1-11(8-9-13-15(3,4)18-13)6-5-7-12(2)10-14(16)17/h6,10,13H,5,7-9H2,1-4H3,(H,16,17)/p-1/b11-6+,12-10+/t13-/m1/s1
SMILES	C/C(=C\C(=O)[O-])CC/C=C(\C)CC[C@H]1OC1(C)C

MNX internals

InChI (mnx)	InChI=1/C15H24O3/c1-11(8-9-13-15(3,4)18-13)6-5-7-12(2)10-14(16)17/h6,10,13H,5,7-9H2,1-4H3,(H,16,17)/b11-6+,12-10+/t13-/m1/s1
SMILES (mnx)	[CH3:1]/[C:11](=[CH:6]\[CH2:5][CH2:7]/[C:12]([CH3:2])=[CH:10]/[C:14](=[O:16])[OH:17])[CH2:8][CH2:9][C@@H:13]1[C:15]([CH3:3])([CH3:4])[O:18]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83274 chebi:83274 DIAZNFMKLJLDNM-AQAKBEBOSA-M	juvenile hormone III carboxylate (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
vmhM:jh3acd vmhmetabolite:jh3acd DIAZNFMKLJLDNM-AQAKBEBOSA-N	Juvenile hormone III acid
kegg.compound:C16504 keggC:C16504 DIAZNFMKLJLDNM-AQAKBEBOSA-N	Juvenile hormone III acid (2E,6E,10R)-10,11-Epoxy-3,7,11-trimethyldodeca-2,6-dienoate Juvenile-hormone-III carboxylate
seed.compound:cpd16292 seedM:cpd16292 DIAZNFMKLJLDNM-AQAKBEBOSA-M	Juvenile hormone III acid (2E,6E,10R)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate JH acid juvenile hormone III acid juvenile hormone III carboxylate
CHEBI:80536 chebi:80536 DIAZNFMKLJLDNM-AQAKBEBOSA-N	juvenile hormone III acid (2E,6E)-(R)-10,11-epoxy-3,7,11-trimethyldodeca-2,6-dienoic acid (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid
metacyc.compound:CPD-12750 metacycM:CPD-12750 DIAZNFMKLJLDNM-AQAKBEBOSA-M	juvenile hormone III acid (2E,6E,10R)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate juvenile hormone III carboxylate
keggC:M_C16504 seedM:M_cpd16292 vmhM:M_jh3acd	secondary/obsolete/fantasy identifier