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

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hexanoate

	Properties	Image
MNX_ID	MNXM1653
reference	chebi:17120
formula	C₆H₁₁O₂
global charge	-1
mol weight	115.152
InChIKey	FUZZWVXGSFPDMH-UHFFFAOYSA-M
InChI	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
SMILES	CCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	30
in models (compartimentalized)	28

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-444194 reactomeM:R-ALL-444194 CHEBI:17120 chebi:17120 FUZZWVXGSFPDMH-UHFFFAOYSA-M	hexanoate 1-hexanoate 1-pentacarboxylate 1-pentanecarboxylate CH3-[CH2]4-COO(-) butylacetate caproate capronate hexoate hexylate n-caproate n-hexanoate n-hexoate n-hexylate nPnCO2 anion pentanecarboxylate pentylformate
bigg.metabolite:caproic biggM:caproic FUZZWVXGSFPDMH-UHFFFAOYSA-M	Caproic Acid
vmhM:caproic vmhmetabolite:caproic FUZZWVXGSFPDMH-UHFFFAOYSA-M	Caproic Acid hexanoic acid
hmdb:HMDB0000535 FUZZWVXGSFPDMH-UHFFFAOYSA-N	Caproic acid 1-Hexanoate 1-Hexanoic acid 1-Pentanecarboxylate 1-Pentanecarboxylic acid 6:0 Bi(ohex)3 Bismuth(III)hexanoate Butylacetate Butylacetic acid C6:0 CH3-[CH2]4-COOH Calcium N-hexanoate Calcium hexanoate Caproate Caproic acid sodium salt Capronate Capronic acid FA(6:0) Hexanoate Hexanoic acid Hexanoic acid, barium salt Hexanoic acid, calcium salt Hexanoic acid, copper (2+) salt Hexanoic acid, manganese (2+) salt Hexanoic acid, nickel (2+) salt Hexanoic acid, potassium salt Hexanoic acid, rhodium (2+) salt Hexanoic acid, sodium salt Hexanoic acid, sodium salt (1:1) Hexanoic acid, sodium salt, 1-(11)C-labeled Hexoate Hexoic acid Hexylate Hexylic acid N-Caproate N-Caproic acid N-Hexanoate N-Hexanoic acid N-Hexoate N-Hexoic acid N-Hexylate N-Hexylic acid Pentanecarboxylate Pentanecarboxylic acid Pentiformate Pentiformic acid Pentylformate Pentylformic acid Sodium caproate Sodium capronate Sodium hexanoate
lipidmaps:LMFA01010006 lipidmapsM:LMFA01010006 FUZZWVXGSFPDMH-UHFFFAOYSA-N	Caproic acid Butylacetic acid C6:0 Capronic acid FA 6:0 Hexanoic acid Pentylformic acid
bigg.metabolite:hxa biggM:hxa vmhM:hxa vmhmetabolite:hxa FUZZWVXGSFPDMH-UHFFFAOYSA-M	Hexanoate (n-C6:0)
sabiork.compound:2297 sabiorkM:2297 FUZZWVXGSFPDMH-UHFFFAOYSA-N	Hexanoate Caproate Hexanoic acid Hexylic acid n-Caproic acid
seed.compound:cpd01113 seedM:cpd01113 FUZZWVXGSFPDMH-UHFFFAOYSA-M	Hexanoate Hexanoate (n-C6:0) Hexanoic acid Hexylic acid a hexonic acid caproate hexanoate hexanoic acid hxa n-Caproic acid
vmhM:M02120 vmhmetabolite:M02120 FUZZWVXGSFPDMH-UHFFFAOYSA-M	Hexanoic Acid
kegg.compound:C01585 keggC:C01585 FUZZWVXGSFPDMH-UHFFFAOYSA-N	Hexanoic acid Hexanoate Hexylic acid n-Caproic acid
envipath:...76774b301631 envipathM:...76774b301631 FUZZWVXGSFPDMH-UHFFFAOYSA-M	compound 0044296
SLM:000001196 slm:000001196 FUZZWVXGSFPDMH-UHFFFAOYSA-M	hexanoate Caproate
metacyc.compound:HEXANOATE metacycM:HEXANOATE FUZZWVXGSFPDMH-UHFFFAOYSA-M	hexanoate caproate caproic acid hexanoate (n-C6:0) hexanoic acid
reactome:R-ALL-9753726 reactomeM:R-ALL-9753726 CHEBI:30776 chebi:30776 FUZZWVXGSFPDMH-UHFFFAOYSA-N	hexanoic acid 1-hexanoic acid 1-pentanecarboxylic acid 6:0 C6:0 CH3-[CH2]4-COOH HEXANOIC ACID Hexanoate Hexanoic acid Hexylic acid Pentanecarboxylic acid butylacetic acid caproic acid capronic acid hexoic acid n-Caproic acid n-hexanoic acid n-hexoic acid n-hexylic acid pentiformic acid pentylformic acid
hmdb:HMDB00535 hmdb:HMDB0061883 hmdb:HMDB61883 chebi:14398 chebi:24569 chebi:24571 chebi:40213 chebi:5702 biggM:M_caproic biggM:M_hxa keggC:M_C01585 seedM:M_cpd01113 vmhM:M_M02120 vmhM:M_caproic vmhM:M_hxa	secondary/obsolete/fantasy identifier