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

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deoxyamidinoproclavaminate

	Properties	Image
MNX_ID	MNXM1738
reference	chebi:57303
formula	C₉H₁₆N₄O₃
global charge	0
mol weight	228.252
InChIKey	UYADDEKIZFRINK-LURJTMIESA-N
InChI	InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1
SMILES	NC(=[NH2+])NCCC[C@@H](C(=O)[O-])N1CCC1=O

MNX internals

InChI (mnx)	InChI=1/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][C@@H:6]([C:8](=[O:15])[OH:16])[N:13]1[CH2:5][CH2:3][C:7]1=[O:14])[CH2:4][NH:12][C:9](=[NH:10])[NH2:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57303 chebi:57303 UYADDEKIZFRINK-LURJTMIESA-N	deoxyamidinoproclavaminate (2S)-5-{[amino(iminio)methyl]amino}-2-(2-oxoazetidin-1-yl)pentanoate deoxyamidinoproclavaminic acid zwitterion
vmhM:doamdpcmnt vmhmetabolite:doamdpcmnt UYADDEKIZFRINK-LURJTMIESA-N	Deoxyamidinoproclavaminate
seed.compound:cpd04059 seedM:cpd04059 UYADDEKIZFRINK-LURJTMIESA-N	Deoxyamidinoproclavaminate (2S)-5-{[amino(iminio)methyl]amino}-2-(2-oxoazetidin-1-yl)pentanoate Deoxyguanidinoproclavaminate Deoxyguanidinoproclavaminic acid deoxyamidinoproclavaminate deoxyguanidinoproclavaminate deoxyguanidinoproclavaminic acid
kegg.compound:C06656 keggC:C06656 UYADDEKIZFRINK-LURJTMIESA-N	Deoxyguanidinoproclavaminic acid Deoxyamidinoproclavaminate Deoxyguanidinoproclavaminate
metacyc.compound:DEOXYAMIDINOPROCLAVAMINATE metacycM:DEOXYAMIDINOPROCLAVAMINATE UYADDEKIZFRINK-LURJTMIESA-N	deoxyamidinoproclavaminate (2S)-5-{[amino(iminio)methyl]amino}-2-(2-oxoazetidin-1-yl)pentanoate deoxyguanidinoproclavaminate deoxyguanidinoproclavaminic acid
CHEBI:15426 chebi:15426 UYADDEKIZFRINK-LURJTMIESA-N	deoxyamidinoproclavaminic acid (2S)-5-carbamimidamido-2-(2-oxoazetidin-1-yl)pentanoic acid DEOXYGUANIDINOPROCLAVAMINIC ACID Deoxyamidinoproclavaminate Deoxyguanidinoproclavaminate Deoxyguanidinoproclavaminic acid
chebi:10791 chebi:14113 chebi:4411 chebi:44845 keggC:M_C06656 seedM:M_cpd04059 vmhM:M_doamdpcmnt	secondary/obsolete/fantasy identifier