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

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N-(3-Oxooctanoyl)homoserine lactone

	Properties	Image
MNX_ID	MNXM36750
reference	keggC:C11841
formula	C₁₂H₁₉NO₄
global charge	0
mol weight	241.287
InChIKey	FXCMGCFNLNFLSH-JTQLQIEISA-N
InChI	InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
SMILES	CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

MNX internals

InChI (mnx)	InChI=1/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:9]([CH2:8][C:11](=[N:13][C@H:10]1[CH2:6][CH2:7][O:17][C:12]1=[O:16])[OH:15])=[O:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:13897 sabiorkM:13897 kegg.compound:C11841 keggC:C11841 FXCMGCFNLNFLSH-JTQLQIEISA-N	N-(3-Oxooctanoyl)homoserine lactone N-(3-Oxooctanoyl)-L-homoserine lactone OOHL
CHEBI:43778 chebi:43778	3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide
metacyc.compound:CPD-10782 metacycM:CPD-10782 FXCMGCFNLNFLSH-JTQLQIEISA-N	AAI-1 AI-1 (A. tumefaciens) N-(3-oxooctanoyl)-L-homoserine lactone autoinducer 1 (A. tumefaciens)
lipidmaps:LMFA08030004 lipidmapsM:LMFA08030004 FXCMGCFNLNFLSH-JTQLQIEISA-N	N-(3-oxo-octanoyl)-homoserine lactone N-(3-Oxooctanoyl)homoserine lactone N-(3-oxo-octanoyl)-homoserine lactone
seed.compound:cpd08639 seedM:cpd08639 FXCMGCFNLNFLSH-JTQLQIEISA-N	OOHL AAI AAI-1 AI-1 (A. tumefaciens) N-(3-Oxooctanoyl)-L-homoserine lactone N-(3-Oxooctanoyl)homoserine lactone N-(3-oxooctanoyl)-L-homoserine lactone autoinducer 1 (A. tumefaciens)
keggC:M_C11841 seedM:M_cpd08639	secondary/obsolete/fantasy identifier