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

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octanoate

	Properties	Image
MNX_ID	MNXM750
reference	chebi:25646
formula	C₈H₁₅O₂
global charge	-1
mol weight	143.206
InChIKey	WWZKQHOCKIZLMA-UHFFFAOYSA-M
InChI	InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
SMILES	CCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	62
in models (compartimentalized)	37

Similar chemical compounds in external resources
Identifier	Description
CHEBI:25646 chebi:25646 WWZKQHOCKIZLMA-UHFFFAOYSA-M	octanoate 1-heptanecarboxylate CH3-[CH2]6-COO(-) caprilate caprylate n-caprylate n-octanoate n-octoate n-octylate octanoic acid, ion(1-) octylate
envipath:...13af00ad46d8 envipathM:...13af00ad46d8 envipath:...0b553c94538b envipathM:...0b553c94538b WWZKQHOCKIZLMA-UHFFFAOYSA-N	Caprylic acid
hmdb:HMDB0000482 WWZKQHOCKIZLMA-UHFFFAOYSA-N	Caprylic acid 1-Heptanecarboxylate 1-Heptanecarboxylic acid 8:0 Acide octanoique Acido octanoico Acidum octanocium Acidum octanoicum C8:0 CH3-[CH2]6-COOH Caprylate Caprylic acid, 14C-labeled Caprylic acid, aluminum salt Caprylic acid, ammonia salt Caprylic acid, barium salt Caprylic acid, cadmium salt Caprylic acid, calcium salt Caprylic acid, cesium salt Caprylic acid, chromium(+2) salt Caprylic acid, cobalt salt Caprylic acid, copper salt Caprylic acid, copper(+2) salt Caprylic acid, iridum(+3) salt Caprylic acid, iron(+3) salt Caprylic acid, lanthanum(+3) salt Caprylic acid, lead(+2) salt Caprylic acid, lithium salt Caprylic acid, manganese salt Caprylic acid, nickel(+2) salt Caprylic acid, potassium salt Caprylic acid, ruthenium(+3) salt Caprylic acid, sodium salt Caprylic acid, sodium salt, 11C-labeled Caprylic acid, tin salt Caprylic acid, tin(+2) salt Caprylic acid, zinc salt Caprylic acid, zirconium salt Caprylic acid, zirconium(+4) salt Emery 657 FA(8:0) Kaprylsaeure Kortacid 0899 Lithium octanoate Lunac 8-95 Lunac 8-98 N-Caprylate N-Caprylic acid N-Octanoate N-Octanoic acid N-Octoate N-Octoic acid N-Octylate N-Octylic acid Neo-fat 8 Neo-fat 8S OCTANOIC ACID (caprylIC ACID) OCTANOate (caprylate) Octanoate Octanoic acid Octansaeure Octoate Octoic acid Octylate Octylic acid Prifac 2901 Sodium caprylate Sodium octanoate caprylic acid octanoic acid
lipidmaps:LMFA01010008 lipidmapsM:LMFA01010008 WWZKQHOCKIZLMA-UHFFFAOYSA-N	Caprylic acid C8:0 FA 8:0 Octylic acid octanoic acid
envipath:...23dbbb8d637f envipathM:...23dbbb8d637f WWZKQHOCKIZLMA-UHFFFAOYSA-M	Octanoate
bigg.metabolite:octa biggM:octa WWZKQHOCKIZLMA-UHFFFAOYSA-M	Octanoate (n-C8:0)
sabiork.compound:2889 sabiorkM:2889 WWZKQHOCKIZLMA-UHFFFAOYSA-M	Octanoate Caprylate Caprylic acid Octanoic acid Octylic acid
kegg.drug:D05220 keggD:D05220 WWZKQHOCKIZLMA-UHFFFAOYSA-N	Octanoic acid (USAN/INN) Caprylic acid (NF)
kegg.compound:C06423 keggC:C06423 WWZKQHOCKIZLMA-UHFFFAOYSA-N	Octanoic acid Caprylic acid Octanoate Octylic acid
envipath:...7c6e56587bdd envipathM:...7c6e56587bdd WWZKQHOCKIZLMA-UHFFFAOYSA-M	compound 0039220
vmhM:octa vmhmetabolite:octa WWZKQHOCKIZLMA-UHFFFAOYSA-M	octanoate (n-C8:0) octanoic acid
hmdb:HMDB0304443 WWZKQHOCKIZLMA-UHFFFAOYSA-M	octanoate 1-Heptanecarboxylate 1-Heptanecarboxylic acid CH3-[CH2]6-COO(-) Caprilate Caprilic acid Caprylate Caprylic acid N-Caprylate N-Caprylic acid N-Octanoate N-Octanoic acid N-Octoate N-Octoic acid N-Octylate N-Octylic acid Octanoate, ion(1-) Octanoic acid Octanoic acid, ion(1-) Octylate Octylic acid
seed.compound:cpd03846 seedM:cpd03846 WWZKQHOCKIZLMA-UHFFFAOYSA-M	octanoate 1-heptanecarboxylic acid C-8 acid Caprylic acid Octanoic acid Octylic acid caprylic acid capryloate n-caprylic acid n-octanoic acid n-octic acid n-octylic acid neo-fat 8 octa octanoate (n-C8:0) octanoic acid octoic acid
metacyc.compound:CPD-195 metacycM:CPD-195 WWZKQHOCKIZLMA-UHFFFAOYSA-M	octanoate 1-heptanecarboxylic acid C-8 acid caprylic acid capryloate n-caprylic acid n-octanoic acid n-octic acid n-octylic acid neo-fat 8 octanoate (n-C8:0) octanoic acid octoic acid
SLM:000000853 slm:000000853 WWZKQHOCKIZLMA-UHFFFAOYSA-M	octanoate Caprylate
reactome:R-ALL-422042 reactomeM:R-ALL-422042 reactome:R-ALL-9753745 reactomeM:R-ALL-9753745 CHEBI:28837 chebi:28837 WWZKQHOCKIZLMA-UHFFFAOYSA-N	octanoic acid 1-heptanecarboxylic acid 8:0 Acide octanoique Acido octanoico Acidum octanocium C8:0 CH3-[CH2]6-COOH Caprylic acid Kaprylsaeure OCTANOIC ACID (CAPRYLIC ACID) Octanoic acid Octansaeure Octylic acid acide octanoique acido octanoico acidum octanoicum n-caprylic acid n-octanoic acid n-octoic acid n-octylic acid octoic acid
hmdb:HMDB00482 hmdb:HMDB0062511 hmdb:HMDB62511 chebi:25648 chebi:3373 chebi:44501 biggM:M_octa keggC:M_C06423 keggD:M_D05220 seedM:M_cpd03846 vmhM:M_octa	secondary/obsolete/fantasy identifier