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

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N-{3-[(4-acetamidobutyl)amino]propyl}acetamide

	Properties	Image
MNX_ID	MNXM64037
reference	chebi:139328
formula	C₁₁H₂₃N₃O₂
global charge	0
mol weight	229.324
InChIKey	BKCVMAZDKFQPHB-UHFFFAOYSA-N
InChI	InChI=1S/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)
SMILES	CC(=O)NCCCCNCCCNC(C)=O

MNX internals

InChI (mnx)	InChI=1/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)
SMILES (mnx)	[CH3:1][C:10](=[N:13][CH2:8][CH2:4][CH2:3][CH2:6][NH:12][CH2:7][CH2:5][CH2:9][N:14]=[C:11]([CH3:2])[OH:16])[OH:15]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:139328 chebi:139328 BKCVMAZDKFQPHB-UHFFFAOYSA-N	N-{3-[(4-acetamidobutyl)amino]propyl}acetamide
hmdb:HMDB0041947 BKCVMAZDKFQPHB-UHFFFAOYSA-N	N1,N8-Diacetylspermidine N-[3-({4-[(1-hydroxyethylidene)amino]butyl}amino)propyl]ethanimidate N-{3-[(4-acetamidobutyl)amino]propyl}acetamide
bigg.metabolite:CE1059 biggM:CE1059 metacyc.compound:CPD-11585 metacycM:CPD-11585 seed.compound:cpd23010 seedM:cpd23010 BKCVMAZDKFQPHB-UHFFFAOYSA-O	N1,N8-diacetylspermidine
vmhM:CE1059 vmhmetabolite:CE1059 BKCVMAZDKFQPHB-UHFFFAOYSA-O	N1,N8-diacetylspermidine N-{3-[(4-acetamidobutyl)amino]propyl}acetamide
hmdb:HMDB41947 biggM:M_CE1059 seedM:M_cpd23010 vmhM:M_CE1059	secondary/obsolete/fantasy identifier