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

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butamben

	Properties	Image
MNX_ID	MNXM44959
reference	chebi:3231
formula	C₁₁H₁₅NO₂
global charge	0
mol weight	193.246
InChIKey	IUWVALYLNVXWKX-UHFFFAOYSA-N
InChI	InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
SMILES	CCCCOC(=O)C1=CC=C(N)C=C1

MNX internals

InChI (mnx)	InChI=1/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:8][O:14][C:11]([C:9]1=[CH:5][CH:7]=[C:10]([NH2:12])[CH:6]=[CH:4]1)=[O:13]

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
CHEBI:3231 chebi:3231 IUWVALYLNVXWKX-UHFFFAOYSA-N	butamben 4-(butoxycarbonyl)aniline 4-aminobenzoic acid butyl ester BAB Butesin Butoform Planoform Scuroform Scuroforme butyl 4-aminobenzoate butyl aminobenzoate butyl p-aminobenzoate n-butyl p-aminobenzoate p-aminobenzoic acid butyl ester
seed.compound:cpd04941 seedM:cpd04941 kegg.compound:C07875 keggC:C07875 IUWVALYLNVXWKX-UHFFFAOYSA-N	Butamben
kegg.drug:D00730 keggD:D00730 IUWVALYLNVXWKX-UHFFFAOYSA-N	Butamben (USP) 4-Aminobenzoic acid butyl Butesin (TN)
sabiork.compound:27111 sabiorkM:27111 IUWVALYLNVXWKX-UHFFFAOYSA-N	Butyl 4-aminobenzoate
hmdb:HMDB0249473 IUWVALYLNVXWKX-UHFFFAOYSA-N	Butyl 4-aminobenzoate 4-(Butoxycarbonyl)aniline 4-Aminobenzoate butyl 4-Aminobenzoate butyl ester 4-Aminobenzoic acid butyl 4-Aminobenzoic acid butyl ester BAB Butamben Butamben picrate Butanylcaine Butesin Butoform Butyl 4-aminobenzoic acid Butyl aminobenzoate Butyl aminobenzoic acid Butyl p-aminobenzoate Butyl p-aminobenzoic acid Butylcaine N-Butyl p-aminobenzoate N-Butyl p-aminobenzoic acid N-Butyl-p-aminobenzoate Planoform Scuroform Scuroforme Zyljectin butamben butyl 4-aminobenzoate p-Aminobenzoate butyl ester p-Aminobenzoic acid butyl ester
CHEBI:86302 chebi:86302 IUWVALYLNVXWKX-UHFFFAOYSA-O	butamben(1+)
keggC:M_C07875 keggD:M_D00730 seedM:M_cpd04941	secondary/obsolete/fantasy identifier