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

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meturedepa

	Properties	Image
MNX_ID	MNXM61990
reference	chebi:135138
formula	C₁₁H₂₂N₃O₃P
global charge	0
mol weight	275.289
InChIKey	QTFKTBRIGWJQQL-UHFFFAOYSA-N
InChI	InChI=1S/C11H22N3O3P/c1-6-17-9(15)12-18(16,13-7-10(13,2)3)14-8-11(14,4)5/h6-8H2,1-5H3,(H,12,15,16)
SMILES	CCOC(=O)NP(=O)(N1CC1(C)C)N1CC1(C)C

MNX internals

InChI (mnx)	InChI=1/C11H22N3O3P/c1-6-17-9(15)12-18(16,13-7-10(13,2)3)14-8-11(14,4)5/h6-8H2,1-5H3,(H,12,15,16)/t13?,14?,18?
SMILES (mnx)	[CH3:1][CH2:6][O:17][C:9](=[N:12][P:18]([N:13]1[CH2:7][C:10]1([CH3:2])[CH3:3])([N:14]1[CH2:8][C:11]1([CH3:4])[CH3:5])=[O:16])[OH:15]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:135138 chebi:135138 QTFKTBRIGWJQQL-UHFFFAOYSA-N	meturedepa AB-132 dimethylurethimine turloc
kegg.drug:D05018 keggD:D05018 QTFKTBRIGWJQQL-UHFFFAOYSA-N	Meturedepa (USAN/INN)
keggD:M_D05018	secondary/obsolete/fantasy identifier