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

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His-Phe

MNXM126514 is deprecated and here replaced by MNXM1366715
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1366715
reference	chebi:141438
formula	C₁₅H₁₈N₄O₃
global charge	0
mol weight	302.334
InChIKey	XMAUFHMAAVTODF-STQMWFEESA-N
InChI	InChI=1S/C15H18N4O3/c16-12(7-11-8-17-9-18-11)14(20)19-13(15(21)22)6-10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)/t12-,13-/m0/s1
SMILES	N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C15H18N4O3/c16-12(7-11-8-17-9-18-11)14(20)19-13(15(21)22)6-10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)/t12-,13-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:10]([CH2:6][C@@H:13]([C:15](=[O:21])[OH:22])[N:19]=[C:14]([C@H:12]([CH2:7][C:11]2=[CH:8][N:17]=[CH:9][NH:18]2)[NH2:16])[OH:20])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141438 chebi:141438 XMAUFHMAAVTODF-STQMWFEESA-N	His-Phe (2S)-2-{[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino}-3-phenylpropanoic acid H-F H-F dipeptide HF HF dipeptide L-histidyl-L-phenylalanine N-L-histidyl-L-phenylalanine N-histidyl-phenylalanine histidine phenylalanine dipeptide histidylphenylalanine
hmdb:HMDB0028892 XMAUFHMAAVTODF-STQMWFEESA-N	Histidylphenylalanine (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid (2S)-2-{[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino}-3-phenylpropanoate (2S)-2-{[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino}-3-phenylpropanoic acid H-F H-F Dipeptide HF HF Dipeptide His-phe Histidine phenylalanine dipeptide Histidine-phenylalanine dipeptide Histidinyl-phenylalanine Histidinylphenylalanine Histidyl-phenylalanine L-His-L-phe L-Histidinyl-L-phenylalanine L-Histidyl-L-phenylalanine N-Histidinylphenylalanine N-Histidyl-phenylalanine N-Histidylphenylalanine N-L-Histidinyl-L-phenylalanine N-L-Histidyl-L-phenylalanine Phe-his Phenylalanylhistidine
sabiork.compound:27298 sabiorkM:27298 XMAUFHMAAVTODF-STQMWFEESA-N	L-Histidyl-L-phenylalanine
hmdb:HMDB28892	secondary/obsolete/fantasy identifier