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

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butanoate

	Properties	Image
MNX_ID	MNXM458
reference	chebi:17968
formula	C₄H₇O₂
global charge	-1
mol weight	87.098
InChIKey	FERIUCNNQQJTOY-UHFFFAOYSA-M
InChI	InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
SMILES	CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][C:4](=[O:5])[OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	70
in models (compartimentalized)	48

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-429760 reactomeM:R-ALL-429760 reactome:R-ALL-76179 reactomeM:R-ALL-76179 reactome:R-ALL-8875042 reactomeM:R-ALL-8875042 CHEBI:17968 chebi:17968 FERIUCNNQQJTOY-UHFFFAOYSA-M	butanoate 1-butanoate 1-butyrate 1-propanecarboxylate CH3-[CH2]2-COO(-) butanate butanoic acid, ion(1-) butyrate n-butanoate n-butyrate propanecarboxylate propylformate
sabiork.compound:1911 sabiorkM:1911 FERIUCNNQQJTOY-UHFFFAOYSA-N	Butanoate Butanoic acid Butyrate Butyric acid
kegg.compound:C00246 keggC:C00246 FERIUCNNQQJTOY-UHFFFAOYSA-N	Butanoic acid Butanoate Butyrate Butyric acid
envipath:...eca131ec9c03 envipathM:...eca131ec9c03 FERIUCNNQQJTOY-UHFFFAOYSA-M	Butyrate
bigg.metabolite:but biggM:but FERIUCNNQQJTOY-UHFFFAOYSA-M	Butyrate (n-C4:0)
seed.compound:cpd00211 seedM:cpd00211 FERIUCNNQQJTOY-UHFFFAOYSA-M	Butyrate 1-propanecarboxylic acid Butanoate Butanoic acid Butyrate (n-C4:0) Butyric acid M_Butyrate but butanoate butanoic acid butyrate butyric acid ethylacetic acid n-butanoate propylformic acid
vmhM:but vmhmetabolite:but FERIUCNNQQJTOY-UHFFFAOYSA-M	Butyrate butanoic acid
hmdb:HMDB0000039 FERIUCNNQQJTOY-UHFFFAOYSA-N	Butyric acid 1-Butanoate 1-Butanoic acid 1-Butyrate 1-Butyric acid 1-Propanecarboxylate 1-Propanecarboxylic acid 4:0 Acid, butanoic Acid, butyric Acide butanoique Acide butyrique Butanate Butanic acid Butanoate Butanoic acid Butoate Butoic acid Buttersaeure Butyrate Butyrate, magnesium Butyrate, sodium Butyric acid magnesium salt Butyric acid, sodium salt C4:0 CH3-[CH2]2-COOH Dibutyrate, magnesium Ethylacetate Ethylacetic acid FA(4:0) Honey robber Kyselina maselna Magnesium butyrate Magnesium dibutyrate N-Butanoate N-Butanoic acid N-Butyrate N-Butyric acid Propanecarboxylate Propanecarboxylic acid Propylformate Propylformic acid Sodium butyrate butanoic acid butyric acid
lipidmaps:LMFA01010004 lipidmapsM:LMFA01010004 FERIUCNNQQJTOY-UHFFFAOYSA-N	Butyric acid Butanoate Butanoic acid C4:0 Ethylacetic acid FA 4:0
metacyc.compound:BUTYRIC_ACID metacycM:BUTYRIC_ACID FERIUCNNQQJTOY-UHFFFAOYSA-M	butanoate 1-propanecarboxylic acid butanoic acid butyrate butyric acid ethylacetic acid n-butanoate propylformic acid
SLM:000001195 slm:000001195 FERIUCNNQQJTOY-UHFFFAOYSA-M	butyrate Butanoate
CHEBI:30772 chebi:30772 FERIUCNNQQJTOY-UHFFFAOYSA-N	butyric acid 1-butanoic acid 1-butyric acid 1-propanecarboxylic acid 4:0 BUTANOIC ACID Butanoate Butanoic acid Buttersaeure Butyric acid C4:0 CH3-[CH2]2-COOH acide butanoique acide butyrique butanic acid butanoic acid butoic acid ethylacetic acid n-butanoic acid n-butyric acid propanecarboxylic acid propylformic acid
envipath:...d822f151565f envipathM:...d822f151565f FERIUCNNQQJTOY-UHFFFAOYSA-M	compound 0038024
hmdb:HMDB00039 chebi:113450 chebi:13924 chebi:22946 chebi:22948 chebi:3234 chebi:41208 biggM:M_but keggC:M_C00246 seedM:M_cpd00211 vmhM:M_but	secondary/obsolete/fantasy identifier