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

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nonanoate

	Properties	Image
MNX_ID	MNXM12480
reference	chebi:32361
formula	C₉H₁₇O₂
global charge	-1
mol weight	157.233
InChIKey	FBUKVWPVBMHYJY-UHFFFAOYSA-M
InChI	InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1
SMILES	CCCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C:9](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32361 chebi:32361 FBUKVWPVBMHYJY-UHFFFAOYSA-M	nonanoate 1-nonanoate 1-octanecarboxylate CH3-[CH2]7-COO(-) n-nonanoate nonoate nonylate pelargate pelargonate pergonate
bigg.metabolite:C01601 biggM:C01601 bigg.metabolite:nona biggM:nona FBUKVWPVBMHYJY-UHFFFAOYSA-N	Nonanoate
sabiork.compound:2299 sabiorkM:2299 FBUKVWPVBMHYJY-UHFFFAOYSA-M	Nonanoate Nonanoic acid Pelargonic acid
seed.compound:cpd01126 seedM:cpd01126 FBUKVWPVBMHYJY-UHFFFAOYSA-M	Nonanoate Nonanoic acid Pelargonic acid n-nonanoate n-nonanoic acid nona nonanoate nonanoic acid nonoate nonoic acid nonylate nonylic acid pelargate pelargic acid pelargonate pelargonic acid
kegg.compound:C01601 keggC:C01601 FBUKVWPVBMHYJY-UHFFFAOYSA-N	Nonanoic acid Nonanoate Pelargonic acid
hmdb:HMDB0000847 FBUKVWPVBMHYJY-UHFFFAOYSA-N	Pelargonic acid 1-Nonanoate 1-Nonanoic acid 1-Octanecarboxylate 1-Octanecarboxylic acid CH3-[CH2]7-COOH Cirrasol 185a Emery 1202 Emery'S L-114 Emfac 1202 FA(9:0) Hexacid C-9 N-Nonanoate N-Nonanoic acid N-Nonoate N-Nonoic acid N-Nonylate N-Nonylic acid N-Pelargonate N-Pelargonic acid Nonanoate Nonanoic acid Nonansaeure Nonoate Nonoic acid Nonylate Nonylic acid Pelargate Pelargic acid Pelargon Pelargonate Pelargonic acid, aluminum salt Pelargonic acid, cadmium salt Pelargonic acid, calcium salt Pelargonic acid, potassium salt Pelargonic acid, sodium salt Pelargonic acid, zinc salt Pelargonsaeure Pergonate Pergonic acid Potassium nonanoate nonanoic acid
lipidmaps:LMFA01010009 lipidmapsM:LMFA01010009 FBUKVWPVBMHYJY-UHFFFAOYSA-N	Pelargonic acid C9:0 FA 9:0 Nonoic acid Nonylic acid nonanoic acid
envipath:...49ee8988ed2c envipathM:...49ee8988ed2c FBUKVWPVBMHYJY-UHFFFAOYSA-M	compound 0064073
SLM:000508821 slm:000508821 FBUKVWPVBMHYJY-UHFFFAOYSA-M	nonanoate
vmhM:C01601 vmhmetabolite:C01601 FBUKVWPVBMHYJY-UHFFFAOYSA-M	nonanoate nonanoic acid
metacyc.compound:CPD-8505 metacycM:CPD-8505 FBUKVWPVBMHYJY-UHFFFAOYSA-M	nonanoate nonanoic acid nonoate nonoic acid nonylate nonylic acid pelargate pelargic acid pelargonate pelargonic acid
CHEBI:29019 chebi:29019 FBUKVWPVBMHYJY-UHFFFAOYSA-N	nonanoic acid 1-nonanoic acid 1-octanecarboxylic acid CH3-[CH2]7-COOH Nonanoate Nonanoic acid Nonansaeure Pelargonic acid Pelargonsaeure n-nonanoic acid nonoic acid nonylic acid pelargic acid pelargon pergonic acid
hmdb:HMDB00847 chebi:25861 chebi:7616 biggM:M_C01601 biggM:M_nona keggC:M_C01601 seedM:M_cpd01126 vmhM:M_C01601	secondary/obsolete/fantasy identifier