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

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(2S)-2-[(R)-1-carboxyethylamino]pentanoate

	Properties	Image
MNX_ID	MNXM4169
reference	chebi:58799
formula	C₈H₁₄NO₄
global charge	-1
mol weight	188.203
InChIKey	AMDDRMIFTJHJGD-RITPCOANSA-M
InChI	InChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/p-1/t5-,6+/m1/s1
SMILES	CCC[C@H]([NH2+][C@H](C)C(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][C@@H:6]([C:8](=[O:12])[OH:13])[NH:9][C@H:5]([CH3:2])[C:7](=[O:10])[OH:11]

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:58799 chebi:58799 AMDDRMIFTJHJGD-RITPCOANSA-M	(2S)-2-[(R)-1-carboxyethylamino]pentanoate (2S)-2-{[(1R)-1-carboxylatoethyl]ammonio}pentanoate (2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate
CHEBI:15602 chebi:15602 AMDDRMIFTJHJGD-RITPCOANSA-M	(2S)-2-[(R)-1-carboxyethylamino]pentanoate (2S)-2-{[(1R)-1-carboxyethyl]amino}pentanoate (2S)-2-{[(1R)-1-carboxyethyl]amino}valerate (2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate (2S)-2-{[1-(R)-carboxyethyl]amino}pentanoate N-[(1R)-1-carboxyethyl]-L-norvalinate
CHEBI:49259 chebi:49259 AMDDRMIFTJHJGD-RITPCOANSA-N	(2S)-2-[(R)-1-carboxyethylamino]pentanoic acid (2S)-2-{[(1R)-1-carboxyethyl]amino}pentanoic acid N-[(1R)-1-carboxyethyl]-L-norvaline
kegg.compound:C06326 keggC:C06326 AMDDRMIFTJHJGD-RITPCOANSA-N	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
seed.compound:cpd03767 seedM:cpd03767 AMDDRMIFTJHJGD-RITPCOANSA-M	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate (2S)-2-{[1-(R)-carboxyethyl]amino}pentanoate
metacyc.compound:CPD-2022 metacycM:CPD-2022 AMDDRMIFTJHJGD-RITPCOANSA-M	(2S)-2-{[1-(R)-carboxyethyl]amino}pentanoate N-[(1R)-1-carboxyethyl]-L-norvaline
chebi:10865 chebi:18545 chebi:186 keggC:M_C06326 seedM:M_cpd03767	secondary/obsolete/fantasy identifier