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

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Asn-Ile

	Properties	Image
MNX_ID	MNXM119416
reference	chebi:141421
formula	C₁₀H₁₉N₃O₄
global charge	0
mol weight	245.279
InChIKey	MQLZLIYPFDIDMZ-HAFWLYHUSA-N
InChI	InChI=1S/C10H19N3O4/c1-3-5(2)8(10(16)17)13-9(15)6(11)4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t5-,6-,8-/m0/s1
SMILES	CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C10H19N3O4/c1-3-5(2)8(10(16)17)13-9(15)6(11)4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t5-,6-,8-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][C@H:5]([CH3:2])[C@@H:8]([C:10](=[O:16])[OH:17])[N:13]=[C:9]([C@H:6]([CH2:4][C:7](=[NH:12])[OH:14])[NH2:11])[OH:15]

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:141421 chebi:141421 MQLZLIYPFDIDMZ-HAFWLYHUSA-N	Asn-Ile (2S,3S)-2-{[(2S)-2,4-diamino-4-oxobutanoyl]amino}-3-methylpentanoic acid H-L-Asn-L-Ile-OH L-Asn-L-Ile L-asparaginyl-L-isoleucine N-I N-I dipeptide NI NI dipeptide asparagine isoleucine dipeptide asparagine-isoleucine dipeptide asparaginyl-isoleucine asparaginylisoleucine
hmdb:HMDB0028734 MQLZLIYPFDIDMZ-HAFWLYHUSA-N	Asparaginylisoleucine (2S,3S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-methylpentanoic acid (2S,3S)-2-{[(2S)-2,4-diamino-4-oxobutanoyl]amino}-3-methylpentanoate (2S,3S)-2-{[(2S)-2,4-diamino-4-oxobutanoyl]amino}-3-methylpentanoic acid (2S,3S)-2-{[(2S)-2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-3-methylpentanoate Asn-ile Asparagine isoleucine dipeptide Asparagine-isoleucine dipeptide Asparaginyl-isoleucine H-L-Asn-L-ile-OH L-Asn-L-ile L-Asparaginyl-L-isoleucine N-I N-I dipeptide NI NI dipeptide
hmdb:HMDB28734	secondary/obsolete/fantasy identifier