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

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Phenylpropionylglycine

	Properties	Image
MNX_ID	MNXM75026
reference	chebi:88550
formula	C₁₁H₁₃NO₃
global charge	0
mol weight	207.229
InChIKey	YEIQSAXUPKPPBN-UHFFFAOYSA-N
InChI	InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
SMILES	O=C(O)CNC(=O)CCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][CH2:7][C:10](=[N:12][CH2:8][C:11](=[O:14])[OH:15])[OH:13])[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:88550 chebi:88550 YEIQSAXUPKPPBN-UHFFFAOYSA-N	Phenylpropionylglycine (3-Phenylpropionyl)glycine (3-phenyl-propionylamino)-acetate (3-phenyl-propionylamino)-acetic acid 2-(3-phenylpropanamido)acetic acid N-(3-Phenyl-propionyl)-glycine N-(3-Phenylpropanoyl)glycine
seed.compound:cpd34908 seedM:cpd34908 YEIQSAXUPKPPBN-UHFFFAOYSA-M	2-(3-phenylpropanamido)acetate N-(3-phenylpropanoyl)glycine phenylpropionylglycine
metacyc.compound:CPD-16822 metacycM:CPD-16822 YEIQSAXUPKPPBN-UHFFFAOYSA-M	N-(3-phenylpropanoyl)glycine 2-(3-phenylpropanamido)acetate phenylpropionylglycine
hmdb:HMDB0000860 YEIQSAXUPKPPBN-UHFFFAOYSA-N	Phenylpropionylglycine (3-Phenyl-propionylamino)-acetate (3-Phenyl-propionylamino)-acetic acid (3-Phenylpropionyl)glycine 2-(3-phenylpropanamido)acetic acid 2-[(1-Hydroxy-3-phenylpropylidene)amino]acetate 3-Phenylpropionylglycine N-(3-Phenyl-propionyl)-glycine N-(3-Phenylpropanoyl)glycine phenylpropionylglycine
hmdb:HMDB00860 seedM:M_cpd34908	secondary/obsolete/fantasy identifier