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

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D-alanyl-D-alanine

	Properties	Image
MNX_ID	MNXM1364010
reference	chebi:57822
formula	C₆H₁₂N₂O₃
global charge	0
mol weight	160.173
InChIKey	DEFJQIDDEAULHB-QWWZWVQMSA-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-/m1/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-/m1/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)	27
in models (compartimentalized)	27

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57822 chebi:57822 DEFJQIDDEAULHB-QWWZWVQMSA-N	D-alanyl-D-alanine (2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate D-alanyl-D-alanine zwitterion
seed.compound:cpd00731 seedM:cpd00731 DEFJQIDDEAULHB-QWWZWVQMSA-N	Ala-Ala D-Ala-D-Ala D-Alanyl-D-alanine D-alanyl-D-alanine alaala
vmhM:M03164 vmhmetabolite:M03164 DEFJQIDDEAULHB-QWWZWVQMSA-N	D-Alanyl-D-Alanine (2R)-2-[(2R)-2-aminopropanamido]propanoic acid
bigg.metabolite:alaala biggM:alaala sabiork.compound:2204 sabiorkM:2204 DEFJQIDDEAULHB-QWWZWVQMSA-N	D-Alanyl-D-alanine
vmhM:alaala vmhmetabolite:alaala DEFJQIDDEAULHB-QWWZWVQMSA-N	D-Alanyl-D-alanine (2R)-2-[(2R)-2-aminopropanamido]propanoic acid
hmdb:HMDB0003459 DEFJQIDDEAULHB-QWWZWVQMSA-N	D-Alanyl-D-alanine (2R)-2-[(2R)-2-aminopropanamido]propanoic acid (D-Ala)2 Ala-ala Alanyl-D-alanine Alanylalanine 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-L-alanine D-Alanylalanine D-ala-D-ala Di-L-alanine Dialanine H-Ala-ala-OH H-D-Ala-D-ala-OH L-Alanyl-D-alanine L-Alanyl-L-alanine N-D-Alanyl-L-alanine N-L-Alanyl-D-alanine
kegg.compound:C00993 keggC:C00993 DEFJQIDDEAULHB-QWWZWVQMSA-N	D-Alanyl-D-alanine D-Ala-D-Ala
CHEBI:16576 chebi:16576 DEFJQIDDEAULHB-QWWZWVQMSA-N	D-alanyl-D-alanine (D-Ala)2 D-Ala-D-Ala D-Alanyl-D-alanine H-D-Ala-D-Ala-OH
metacyc.compound:D-ALA-D-ALA metacycM:D-ALA-D-ALA DEFJQIDDEAULHB-QWWZWVQMSA-N	D-alanyl-D-alanine D-Ala-D-Ala
hmdb:HMDB03459 chebi:12900 chebi:13749 chebi:20894 chebi:4088 biggM:M_alaala keggC:M_C00993 seedM:M_cpd00731 vmhM:M_M03164 vmhM:M_alaala	secondary/obsolete/fantasy identifier