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

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Ile-Phe

	Properties	Image
MNX_ID	MNXM126873
reference	chebi:74075
formula	C₁₅H₂₂N₂O₃
global charge	0
mol weight	278.352
InChIKey	WMDZARSFSMZOQO-DRZSPHRISA-N
InChI	InChI=1S/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-,13-/m0/s1
SMILES	CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-,13-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][C@H:10]([CH3:2])[C@@H:13]([C:14](=[N:17][C@@H:12]([CH2:9][C:11]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[C:15](=[O:19])[OH:20])[OH:18])[NH2:16]

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:74075 chebi:74075 WMDZARSFSMZOQO-DRZSPHRISA-N	Ile-Phe IF Isoleucyl-Phenylalanine L-Ile-L-Phe L-isoleucyl-L-phenylalanine isoleucylphenylalanine
hmdb:HMDB0028914 WMDZARSFSMZOQO-UHFFFAOYSA-N	Isoleucyl-Phenylalanine 2-(2-amino-3-methylpentanamido)-3-phenylpropanoic acid 2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-3-phenylpropanoate I-F dipeptide IF dipeptide Ile-phe Isoleucine phenylalanine dipeptide Isoleucine-phenylalanine dipeptide Isoleucylphenylalanine L-Isoleucyl-L-phenylalanine
hmdb:HMDB28914	secondary/obsolete/fantasy identifier