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

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Asp-Thr

	Properties	Image
MNX_ID	MNXM119453
reference	chebi:141427
formula	C₈H₁₄N₂O₆
global charge	0
mol weight	234.208
InChIKey	NTQDELBZOMWXRS-IWGUZYHVSA-N
InChI	InChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-7(14)4(9)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,4+,6+/m1/s1
SMILES	C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C8H14N2O6/c1-3(11)6(8(15)16)10-7(14)4(9)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,4+,6+/m1/s1
SMILES (mnx)	[CH3:1][C@H:3]([C@@H:6]([C:8](=[O:15])[OH:16])[N:10]=[C:7]([C@H:4]([CH2:2][C:5](=[O:12])[OH:13])[NH2:9])[OH:14])[OH:11]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141427 chebi:141427 NTQDELBZOMWXRS-IWGUZYHVSA-N	Asp-Thr (3S)-3-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]amino}-4-oxobutanoic acid D-T D-T dipeptide DT DT dipeptide L-alpha-aspartyl-L-threonine L-aspartyl-L-threonine aspartic acid threonine dipeptide aspartylthreonine
hmdb:HMDB0028763 NTQDELBZOMWXRS-UHFFFAOYSA-N	Aspartyl-Threonine 2-(2-amino-3-carboxypropanamido)-3-hydroxybutanoic acid 2-[(2-Amino-3-carboxy-1-hydroxypropylidene)amino]-3-hydroxybutanoate Asp-THR Aspartate threonine dipeptide Aspartate-threonine dipeptide Aspartylthreonine D-T Dipeptide DT Dipeptide L-Aspartyl-L-threonine
CHEBI:174200 chebi:174200 NTQDELBZOMWXRS-UHFFFAOYSA-N	Aspartyl-Threonine 3-amino-4-[(1-carboxy-2-hydroxypropyl)amino]-4-oxobutanoic acid
hmdb:HMDB28763	secondary/obsolete/fantasy identifier