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

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(3R)-5-guanidino-3-methyl-2-oxopentanoate

	Properties	Image
MNX_ID	MNXM5014
reference	chebi:229580
formula	C₇H₁₃N₃O₃
global charge	0
mol weight	187.199
InChIKey	HLXRGRMMMNFZHD-SCSAIBSYSA-N
InChI	InChI=1S/C7H13N3O3/c1-4(5(11)6(12)13)2-3-10-7(8)9/h4H,2-3H2,1H3,(H,12,13)(H4,8,9,10)/t4-/m1/s1
SMILES	C[C@H](CCNC(N)=[NH2+])C(=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C7H13N3O3/c1-4(5(11)6(12)13)2-3-10-7(8)9/h4H,2-3H2,1H3,(H,12,13)(H4,8,9,10)/t4-/m1/s1
SMILES (mnx)	[CH3:1][C@H:4]([CH2:2][CH2:3][NH:10][C:7](=[NH:8])[NH2:9])[C:5]([C:6]([OH:12])=[O:13])=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:229580 chebi:229580 HLXRGRMMMNFZHD-SCSAIBSYSA-N	(3R)-5-guanidino-3-methyl-2-oxopentanoate (3R)-5-guanidino-3-methyl-2-oxopentanoic acid zwitterion
kegg.compound:C20234 keggC:C20234 HLXRGRMMMNFZHD-SCSAIBSYSA-N	(3R)-5-Guanidino-3-methyl-2-oxopentanoate (3R)-5-Carbamimidamido-3-methyl-2-oxopentanoate
seed.compound:cpd21467 seedM:cpd21467 HLXRGRMMMNFZHD-UHFFFAOYSA-N	5-Guanidino-3-methyl-2-oxopentanoate 5-Carbamimidamido-3-methyl-2-oxopentanoate 5-guanidino-3-methyl-2-oxo-pentanoate 5-guanidino-3-methyl-2-oxopentanoate
metacyc.compound:CPD-12430 metacycM:CPD-12430 HLXRGRMMMNFZHD-UHFFFAOYSA-N	5-guanidino-3-methyl-2-oxopentanoate
CHEBI:64263 chebi:64263 HLXRGRMMMNFZHD-UHFFFAOYSA-N	5-guanidino-3-methyl-2-oxopentanoic acid zwitterion 5-carbamimidamido-3-methyl-2-oxopentanoic acid zwitterion 5-{[amino(iminio)methyl]amino}-3-methyl-2-oxopentanoate
CHEBI:64288 chebi:64288 HLXRGRMMMNFZHD-UHFFFAOYSA-N	5-guanidino-3-methyl-2-oxopentanoic acid 5-carbamimidamido-3-methyl-2-oxopentanoic acid
keggC:M_C20234 seedM:M_cpd21467	secondary/obsolete/fantasy identifier