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

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pentanoate

	Properties	Image
MNX_ID	MNXM3382
reference	chebi:31011
formula	C₅H₉O₂
global charge	-1
mol weight	101.125
InChIKey	NQPDZGIKBAWPEJ-UHFFFAOYSA-M
InChI	InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
SMILES	CCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	28
in models (compartimentalized)	18

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-444051 reactomeM:R-ALL-444051 CHEBI:31011 chebi:31011 NQPDZGIKBAWPEJ-UHFFFAOYSA-M	pentanoate CH3-[CH2]3-COO(-) n-propylacetate pentanoic acid, ion(1-) valerate
bigg.metabolite:pta biggM:pta	Pentanoate
sabiork.compound:2161 sabiorkM:2161 kegg.compound:C00803 keggC:C00803 NQPDZGIKBAWPEJ-UHFFFAOYSA-M NQPDZGIKBAWPEJ-UHFFFAOYSA-N	Pentanoate Pentanoic acid Valerate Valerianic acid Valeric acid n-Pentanoate n-Valeric acid
SLM:000389552 slm:000389552 NQPDZGIKBAWPEJ-UHFFFAOYSA-M	Pentanoate Valerate
seed.compound:cpd00597 seedM:cpd00597 NQPDZGIKBAWPEJ-UHFFFAOYSA-M	Valerate Pentanoate Pentanoic acid Valerianic acid Valeric acid n-Pentanoate n-Valeric acid pentanoate pentanoic acid pta valerate valerianic acid
bigg.metabolite:M03134 biggM:M03134 NQPDZGIKBAWPEJ-UHFFFAOYSA-N	Valeric Acid
vmhM:M03134 vmhmetabolite:M03134 NQPDZGIKBAWPEJ-UHFFFAOYSA-M	Valeric Acid pentanoic acid
hmdb:HMDB0000892 NQPDZGIKBAWPEJ-UHFFFAOYSA-N	Valeric acid 1-Butanecarboxylate 1-Butanecarboxylic acid 1-Pentanoate 1-Pentanoic acid Butanecarboxylate Butanecarboxylic acid CH3-[CH2]3-COOH Kyselina valerova Lithium pentanoate N-BuCOOH N-C4H9COOH N-Pentanoate N-Pentanoic acid N-Pentanoic acid, 11C-labeled N-Pentanoic acid, 11C-labeled sodium salt N-Pentanoic acid, ammonium salt N-Pentanoic acid, maganese (+2) salt N-Pentanoic acid, potassium salt N-Pentanoic acid, sodium salt N-Pentanoic acid, zinc salt N-Valerate N-Valeric acid N-valeric acid Pentanoate Pentanoic acid Pentoate Pentoic acid Propylacetate Propylacetic acid Valerate Valerate, normal Valerianate Valerianic acid Valeriansaeure Valeriansaure Valeric acid normal Valeric acid, normal pentanoic acid
lipidmaps:LMFA01010005 lipidmapsM:LMFA01010005 NQPDZGIKBAWPEJ-UHFFFAOYSA-N	Valeric acid C5:0 FA 5:0 Pentanoic acid Valerianic acid
envipath:...9bfbacbed726 envipathM:...9bfbacbed726 NQPDZGIKBAWPEJ-UHFFFAOYSA-M	compound 0038793
metacyc.compound:VALERATE metacycM:VALERATE NQPDZGIKBAWPEJ-UHFFFAOYSA-M	pentanoate pentanoic acid valerate valerianic acid
CHEBI:17418 chebi:17418 NQPDZGIKBAWPEJ-UHFFFAOYSA-N	valeric acid 1-butanecarboxylic acid CH3-[CH2]3-COOH PENTANOIC ACID Pentanoate Pentanoic acid Valerate Valerianic acid Valeriansaeure Valeric acid n-BuCOOH n-Pentanoate n-Valeric acid n-pentanoic acid n-valeric acid pentanoic acid pentoic acid propylacetic acid valeric acid, normal
hmdb:HMDB00892 chebi:113448 chebi:14751 chebi:25890 chebi:27263 chebi:27264 chebi:43606 chebi:44803 chebi:7980 biggM:M_M03134 biggM:M_pta keggC:M_C00803 seedM:M_cpd00597 vmhM:M_M03134	secondary/obsolete/fantasy identifier