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

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phenylacetylglycine

	Properties	Image
MNX_ID	MNXM4775
reference	chebi:60874
formula	C₁₀H₁₀NO₃
global charge	-1
mol weight	192.194
InChIKey	UTYVDVLMYQPLQB-UHFFFAOYSA-M
InChI	InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/p-1
SMILES	O=C([O-])CNC(=O)CC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][C:9](=[N:11][CH2:7][C:10](=[O:13])[OH:14])[OH:12])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60874 chebi:60874 UTYVDVLMYQPLQB-UHFFFAOYSA-M	phenylacetylglycine [(phenylacetyl)amino]acetate [(phenylacetyl)amino]acetic acid anion phenylacetylglycinate phenylacetylglycine anion phenylacetylglycine(1-)
bigg.metabolite:phacgly biggM:phacgly bigg.metabolite:pheacgly biggM:pheacgly sabiork.compound:7999 sabiorkM:7999 kegg.compound:C05598 keggC:C05598 vmhM:phacgly vmhmetabolite:phacgly UTYVDVLMYQPLQB-UHFFFAOYSA-M UTYVDVLMYQPLQB-UHFFFAOYSA-N	Phenylacetylglycine
hmdb:HMDB0000821 UTYVDVLMYQPLQB-UHFFFAOYSA-N	Phenylacetylglycine ((Phenylacetyl)amino)acetic acid 2-(2-phenylacetamido)acetic acid N-(Phenylacetyl)-glycine N-(Phenylacetyl)glycine N-Phenacetylglycine N-Phenylacetylglycine PAA PAG Phenacetate Phenacetic acid Phenaceturate Phenaceturic acid Phenacetylglycine Phenylacetyl glycine [(Phenylacetyl)amino]acetate [(Phenylacetyl)amino]acetic acid phenylacetylglycine
vmhM:M02723 vmhmetabolite:M02723 vmhM:pheacgly vmhmetabolite:pheacgly UTYVDVLMYQPLQB-UHFFFAOYSA-M UTYVDVLMYQPLQB-UHFFFAOYSA-N	Phenylacetylglycine 2-(2-phenylacetamido)acetic acid
seed.compound:cpd03325 seedM:cpd03325 UTYVDVLMYQPLQB-UHFFFAOYSA-M	Phenylacetylglycine N-(phenylacetyl)glycine N-phenacetylglycine N-phenylacetylglycine glycine, N-(phenylacetyl)- phenaceturic acid phenacetylglycine phenylacetylglycine
CHEBI:27480 chebi:27480 UTYVDVLMYQPLQB-UHFFFAOYSA-N	phenylacetylglycine N-(phenylacetyl)glycine N-Phenacetylglycine N-Phenylacetylglycine Phenaceturic acid Phenacetylglycine Phenylacetylglycine
metacyc.compound:CPD-11715 metacycM:CPD-11715 UTYVDVLMYQPLQB-UHFFFAOYSA-M	phenylacetylglycine N-(phenylacetyl)glycine N-phenacetylglycine N-phenylacetylglycine glycine, N-(phenylacetyl)- phenaceturic acid phenacetylglycine
hmdb:HMDB00821 chebi:25983 chebi:613592 chebi:8088 biggM:M_phacgly biggM:M_pheacgly keggC:M_C05598 seedM:M_cpd03325 vmhM:M_M02723 vmhM:M_phacgly vmhM:M_pheacgly	secondary/obsolete/fantasy identifier