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

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N-(carboxymethyl)-D-alanine

	Properties	Image
MNX_ID	MNXM4696
reference	chebi:57773
formula	C₅H₈NO₄
global charge	-1
mol weight	146.122
InChIKey	XYUPSBLFPTWJLC-GSVOUGTGSA-M
InChI	InChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-1/t3-/m1/s1
SMILES	C[C@@H]([NH2+]CC(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
SMILES (mnx)	[CH3:1][C@H:3]([C:5](=[O:9])[OH:10])[NH:6][CH2:2][C:4](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57773 chebi:57773 XYUPSBLFPTWJLC-GSVOUGTGSA-M	N-(carboxymethyl)-D-alanine (2R)-2-[(carboxylatomethyl)ammonio]propanoate (2R)-2-[(carboxylatomethyl)azaniumyl]propanoate N-(carboxylatomethyl)-D-alanine N-(carboxylatomethyl)-D-alanine anion N-(carboxylatomethyl)-D-alanine(1-)
seed.compound:cpd02373 seedM:cpd02373 XYUPSBLFPTWJLC-GSVOUGTGSA-M	N-(Carboxymethyl)-D-alanine (2R)-2-[(carboxylatomethyl)ammonio]propanoate N-(carboxymethyl)-D-alanine Strombine strombine
kegg.compound:C03790 keggC:C03790 XYUPSBLFPTWJLC-GSVOUGTGSA-N	N-(Carboxymethyl)-D-alanine Strombine
CHEBI:16439 chebi:16439 XYUPSBLFPTWJLC-GSVOUGTGSA-N	N-(carboxymethyl)-D-alanine N-(Carboxymethyl)-D-alanine Strombine
metacyc.compound:CPD-312 metacycM:CPD-312 XYUPSBLFPTWJLC-GSVOUGTGSA-M	strombine (2R)-2-[(carboxylatomethyl)ammonio]propanoate N-(carboxymethyl)-D-alanine
chebi:12436 chebi:21481 chebi:7096 keggC:M_C03790 seedM:M_cpd02373	secondary/obsolete/fantasy identifier