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

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p-nitrophenyl butyrate

	Properties	Image
MNX_ID	MNXM20221
reference	chebi:85867
formula	C₁₀H₁₁NO₄
global charge	0
mol weight	209.201
InChIKey	DVDUMIQZEUTAGK-UHFFFAOYSA-N
InChI	InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3
SMILES	CCCC(=O)OC1=CC=C([N+](=O)[O-])C=C1

MNX internals

InChI (mnx)	InChI=1/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][C:10](=[O:12])[O:15][C:9]1=[CH:7][CH:5]=[C:8]([N+:11]([O-:13])=[O:14])[CH:4]=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5695960 reactomeM:R-ALL-5695960 CHEBI:85867 chebi:85867 DVDUMIQZEUTAGK-UHFFFAOYSA-N	p-nitrophenyl butyrate 4-nitrophenyl butanoate 4-nitrophenyl butyrate PNPB p-nitrophenol butyrate p-nitrophenyl butanoate pNP-butyrate para-nitrophenyl butyrate
hmdb:HMDB0246539 DVDUMIQZEUTAGK-UHFFFAOYSA-N	4-Nitrophenyl butyrate 4-Nitrophenyl butanoate 4-Nitrophenyl butanoic acid 4-Nitrophenyl butyric acid 4-nitrophenyl butanoate PNP-Butyrate PNP-Butyric acid PNPB Para-nitrophenyl butyrate Para-nitrophenyl butyric acid p-Nitrophenol butyrate p-Nitrophenol butyric acid p-Nitrophenyl butanoate p-Nitrophenyl butanoic acid p-Nitrophenyl butyrate p-Nitrophenyl butyric acid p-Nitrophenylbutyrate
metacyc.compound:CPD0-2413 metacycM:CPD0-2413 DVDUMIQZEUTAGK-UHFFFAOYSA-N	4-nitrophenyl butanoate p-nitrophenyl butanoate p-nitrophenyl butyrate pNP-butyrate
sabiork.compound:24564 sabiorkM:24564 DVDUMIQZEUTAGK-UHFFFAOYSA-N	p-Nitrophenyl butyrate 4-Nitrophenyl butanoate 4-Nitrophenyl butyrate PNPB p-Nitrophenyl butanoate
seed.compound:cpd26491 seedM:cpd26491 DVDUMIQZEUTAGK-UHFFFAOYSA-N	p-nitrophenyl butyrate p-nitrophenyl butanoate
seedM:M_cpd26491	secondary/obsolete/fantasy identifier