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

Feedback

Phe-Ile

	Properties	Image
MNX_ID	MNXM129248
reference	chebi:74717
formula	C₁₅H₂₂N₂O₃
global charge	0
mol weight	278.352
InChIKey	JWBLQDDHSDGEGR-DRZSPHRISA-N
InChI	InChI=1S/C15H22N2O3/c1-3-10(2)13(15(19)20)17-14(18)12(16)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](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O

MNX internals

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

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:74717 chebi:74717 JWBLQDDHSDGEGR-DRZSPHRISA-N	Phe-Ile FI L-Phe-L-Ile L-phenylalanyl-L-isoleucine Phenylalanyl-Isoleucine phenylalanylisoleucine
hmdb:HMDB0028998 JWBLQDDHSDGEGR-DRZSPHRISA-N	Phenylalanylisoleucine (2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanoic acid F-I dipeptide FI FI dipeptide L-Phe-L-ile L-Phenylalanyl-L-isoleucine N-L-Phenylalanyl-L-isoleucine N-Phenylalanylisoleucine Phe-ile Phenylalanine isoleucine dipeptide Phenylalanine-isoleucine dipeptide Phenylalanyl-isoleucine
hmdb:HMDB28998	secondary/obsolete/fantasy identifier