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

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(5S)-5-amino-3-oxohexanoate

	Properties	Image
MNX_ID	MNXM2894
reference	chebi:58523
formula	C₆H₁₁NO₃
global charge	0
mol weight	145.158
InChIKey	FAASBXNEOGMQHS-BYPYZUCNSA-N
InChI	InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
SMILES	C[C@H]([NH3+])CC(=O)CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:4]([CH2:2][C:5]([CH2:3][C:6](=[O:9])[OH:10])=[O:8])[NH2:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58523 chebi:58523 FAASBXNEOGMQHS-BYPYZUCNSA-N	(5S)-5-amino-3-oxohexanoate (5S)-5-amino-3-oxohexanoic acid zwitterion (5S)-5-ammonio-3-oxohexanoate
CHEBI:27713 chebi:27713 FAASBXNEOGMQHS-BYPYZUCNSA-N	(5S)-5-amino-3-oxohexanoic acid (S)-5-Amino-3-oxohexanoate (S)-5-amino-3-oxohexanoate
seed.compound:cpd02294 seedM:cpd02294 FAASBXNEOGMQHS-BYPYZUCNSA-N	(S)-5-Amino-3-oxohexanoate (3)-3-keto-5-aminohexanoate (S)-5-Amino-3-oxohexanoic acid (S)-5-amino-3-oxohexanoate 3-keto-5-aminohexanoate
hmdb:HMDB0012131 FAASBXNEOGMQHS-BYPYZUCNSA-N	(S)-5-Amino-3-oxohexanoate (5S)-5-amino-3-oxohexanoic acid (S)-5-Amino-3-oxohexanoic acid (S)-5-amino-3-oxo-Hexanoate (S)-5-amino-3-oxo-Hexanoic acid (S)-5-amino-3-oxohexanoic acid 3-keto-5-Aminohexanoate 3-keto-5-Aminohexanoic acid 3-oxo-5S-Amino-hexanoate 5-amino-3-Oxohexanoate 5-amino-3-Oxohexanoic acid
kegg.compound:C03656 keggC:C03656 FAASBXNEOGMQHS-BYPYZUCNSA-N	(S)-5-Amino-3-oxohexanoic acid (S)-5-Amino-3-oxohexanoate
metacyc.compound:CPD-159 metacycM:CPD-159 FAASBXNEOGMQHS-BYPYZUCNSA-N	(S)-5-amino-3-oxohexanoate (S)-3-keto-5-aminohexanoate
vmhM:5a3ohex vmhmetabolite:5a3ohex FAASBXNEOGMQHS-BYPYZUCNSA-M	3-keto-5-aminohexanoate (5S)-5-amino-3-oxohexanoic acid
lipidmaps:LMFA01060173 lipidmapsM:LMFA01060173 FAASBXNEOGMQHS-BYPYZUCNSA-N	3-oxo-5S-amino-hexanoic acid (5S)-5-Amino-3-oxohexanoic acid 3-oxo-5S-amino-hexanoic acid
hmdb:HMDB12131 chebi:11054 chebi:18761 chebi:408 keggC:M_C03656 seedM:M_cpd02294 vmhM:M_5a3ohex	secondary/obsolete/fantasy identifier