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

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L-alanyl-L-alanine

	Properties	Image
MNX_ID	MNXM1364009
reference	chebi:195181
formula	C₆H₁₂N₂O₃
global charge	0
mol weight	160.173
InChIKey	DEFJQIDDEAULHB-IMJSIDKUSA-N
InChI	InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
SMILES	C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:3]([C:5](=[N:8][C@@H:4]([CH3:2])[C:6](=[O:10])[OH:11])[OH:9])[NH2:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:195181 chebi:195181 DEFJQIDDEAULHB-IMJSIDKUSA-N	L-alanyl-L-alanine (2S)-2-{[(2S)-2-azaniumylpropanoyl]amino}propanoate Ala-Ala zwitterion L-Ala-L-Ala zwitterion L-alanyl-L-alanine zwitterion
seed.compound:cpd34361 seedM:cpd34361 DEFJQIDDEAULHB-IMJSIDKUSA-N	Ala-Ala L-Ala-L-Ala L-alanyl-L-alanine
hmdb:HMDB0028680 DEFJQIDDEAULHB-IMJSIDKUSA-N	Alanylalanine (2S)-2-[(2S)-2-aminopropanamido]propanoic acid A-A dipeptide AA AA dipeptide Ala-ala Alanine alanine dipeptide Alanine-alanine dipeptide Alanyl-D-alanine Alanyl-alanine Alanylalanine, (D)-isomer Alanylalanine, (D-ala)-(L-ala)-isomer Alanylalanine, (L)-isomer Alanylalanine, (L-ala)-(D-ala)-isomer Alanylalanine, (L-ala)-(DL-ala)-isomer D-Ala-D-ala D-Alanyl-D-alanine D-Alanyl-L-alanine D-Alanylalanine Di-L-alanine Dialanine H-Ala-ala-OH H-D-Ala-D-ala-OH L-Ala-L-ala L-Alanyl-D-alanine L-Alanyl-L-alanine N-Alanylalanine N-D-Alanyl-L-alanine N-L-Alanyl-D-alanine N-L-Alanyl-L-alanine NSC 89598 alpha-Alanylalanine
sabiork.compound:23237 sabiorkM:23237 DEFJQIDDEAULHB-IMJSIDKUSA-N	L-Alanyl-L-alanine
CHEBI:72816 chebi:72816 DEFJQIDDEAULHB-IMJSIDKUSA-N	L-alanyl-L-alanine AA Ala-Ala L-Ala-L-Ala N-L-alanyl-L-alanine
metacyc.compound:CPD-20348 metacycM:CPD-20348 DEFJQIDDEAULHB-IMJSIDKUSA-N	L-alanyl-L-alanine Ala-Ala L-Ala-L-Ala
hmdb:HMDB28680 seedM:M_cpd34361	secondary/obsolete/fantasy identifier