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

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Cys-Asn

	Properties	Image
MNX_ID	MNXM124143
reference	chebi:157803
formula	C₇H₁₃N₃O₄S
global charge	0
mol weight	235.265
InChIKey	AYKQJQVWUYEZNU-IMJSIDKUSA-N
InChI	InChI=1S/C7H13N3O4S/c8-3(2-15)6(12)10-4(7(13)14)1-5(9)11/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)/t3-,4-/m0/s1
SMILES	NC(=O)C[C@H](NC(=O)[C@@H](N)CS)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C7H13N3O4S/c8-3(2-15)6(12)10-4(7(13)14)1-5(9)11/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)/t3-,4-/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:4]([C:7](=[O:13])[OH:14])[N:10]=[C:6]([C@H:3]([CH2:2][SH:15])[NH2:8])[OH:12])[C:5](=[NH:9])[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:157803 chebi:157803 AYKQJQVWUYEZNU-IMJSIDKUSA-N	Cys-Asn (2S)-4-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-oxobutanoic acid
hmdb:HMDB0028770 AYKQJQVWUYEZNU-UHFFFAOYSA-N	Cysteinyl-Asparagine 2-[(2-Amino-1-hydroxy-3-sulfanylpropylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoate 2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoate 2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid 2-[(2-amino-1-hydroxy-3-sulfanylpropylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid C-N Dipeptide CN Dipeptide Cys-asn Cysteine asparagine dipeptide Cysteine-asparagine dipeptide Cysteinylasparagine L-Cysteinyl-L-asparagine
CHEBI:168943 chebi:168943 AYKQJQVWUYEZNU-UHFFFAOYSA-N	Cysteinyl-Asparagine 4-amino-2-[(2-amino-3-sulanylpropanoyl)amino]-4-oxobutanoic acid
hmdb:HMDB28770	secondary/obsolete/fantasy identifier