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

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amidinoproclavaminate

	Properties	Image
MNX_ID	MNXM1811
reference	chebi:58647
formula	C₉H₁₆N₄O₄
global charge	0
mol weight	244.251
InChIKey	MPNWPLYZGCKKFY-VDTYLAMSSA-N
InChI	InChI=1S/C9H16N4O4/c10-9(11)12-3-1-5(14)7(8(16)17)13-4-2-6(13)15/h5,7,14H,1-4H2,(H,16,17)(H4,10,11,12)/t5-,7+/m1/s1
SMILES	NC(=[NH2+])NCC[C@@H](O)[C@@H](C(=O)[O-])N1CCC1=O

MNX internals

InChI (mnx)	InChI=1/C9H16N4O4/c10-9(11)12-3-1-5(14)7(8(16)17)13-4-2-6(13)15/h5,7,14H,1-4H2,(H,16,17)(H4,10,11,12)/t5-,7+/m1/s1
SMILES (mnx)	[CH2:1]([CH2:3][NH:12][C:9](=[NH:10])[NH2:11])[C@H:5]([C@@H:7]([C:8](=[O:16])[OH:17])[N:13]1[CH2:4][CH2:2][C:6]1=[O:15])[OH:14]

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:58647 chebi:58647 MPNWPLYZGCKKFY-VDTYLAMSSA-N	amidinoproclavaminate (2S,3R)-5-{[amino(iminiumyl)methyl]amino}-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoate amidinoproclavaminic acid zwitterion
vmhM:amdpcmnt vmhmetabolite:amdpcmnt MPNWPLYZGCKKFY-VDTYLAMSSA-N	Amidinoproclavaminate
seed.compound:cpd04060 seedM:cpd04060 MPNWPLYZGCKKFY-VDTYLAMSSA-N	Amidinoproclavaminate Guanidinoproclavaminate Guanidinoproclavaminic acid amidinoproclavaminate guanidinoproclavaminic acid
kegg.compound:C06657 keggC:C06657 MPNWPLYZGCKKFY-VDTYLAMSSA-N	Guanidinoproclavaminic acid Amidinoproclavaminate Guanidinoproclavaminate
metacyc.compound:AMIDINOPROCLAVAMINATE metacycM:AMIDINOPROCLAVAMINATE MPNWPLYZGCKKFY-VDTYLAMSSA-N	amidinoproclavaminate guanidinoproclavaminic acid
CHEBI:32963 chebi:32963 MPNWPLYZGCKKFY-VDTYLAMSSA-N	amidinoproclavaminic acid (2S,3R)-5-carbamimidamido-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid Amidinoproclavaminate Guanidinoproclavaminate Guanidinoproclavaminic acid
chebi:13765 chebi:5562 keggC:M_C06657 seedM:M_cpd04060 vmhM:M_amdpcmnt	secondary/obsolete/fantasy identifier