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

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(3S)-3-Azaniumyl-3-(4-hydroxyphenyl)propanoate

	Properties	Image
MNX_ID	MNXM4326
reference	chebi:181384
formula	C₉H₁₁NO₃
global charge	0
mol weight	181.191
InChIKey	JYPHNHPXFNEZBR-QMMMGPOBSA-N
InChI	InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
SMILES	[NH3+][C@@H](CC(=O)[O-])C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([OH:11])=[CH:4][CH:2]=[C:6]1[C@H:8]([CH2:5][C:9](=[O:12])[OH:13])[NH2:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:181384 chebi:181384 JYPHNHPXFNEZBR-QMMMGPOBSA-N	(3S)-3-Azaniumyl-3-(4-hydroxyphenyl)propanoate (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
kegg.compound:C21308 keggC:C21308 JYPHNHPXFNEZBR-QMMMGPOBSA-N	(S)-beta-Tyrosine
metacyc.compound:CPD-232 metacycM:CPD-232 JYPHNHPXFNEZBR-QMMMGPOBSA-N	(S)-beta-tyrosine (S)-3-amino-3-(4-hydroxyphenyl)propanoate (S)-3-amino-3-(4-hydroxyphenyl)propanoic acid
kegg.compound:C04368 keggC:C04368 JYPHNHPXFNEZBR-UHFFFAOYSA-N	3-Amino-3-(4-hydroxyphenyl)propanoate beta-Tyrosine
CHEBI:19960 chebi:19960 JYPHNHPXFNEZBR-UHFFFAOYSA-M	3-amino-3-(4-hydroxyphenyl)propanoate 3-amino-3-(4-hydroxyphenyl)propanoate anion 3-amino-3-(4-hydroxyphenyl)propanoate(1-) 3-amino-3-(4-hydroxyphenyl)propionate 3-amino-3-(4-hydroxyphenyl)propionate anion 3-amino-3-(4-hydroxyphenyl)propionate(1-)
CHEBI:57956 chebi:57956 JYPHNHPXFNEZBR-UHFFFAOYSA-N	3-amino-3-(4-hydroxyphenyl)propanoate 3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion 3-ammonio-3-(4-hydroxyphenyl)propanoate 3-azaniumyl-3-(4-hydroxyphenyl)propanoate
CHEBI:16939 chebi:16939 JYPHNHPXFNEZBR-UHFFFAOYSA-N	3-amino-3-(4-hydroxyphenyl)propanoic acid 3-Amino-3-(4-hydroxyphenyl)propanoate 3-amino-3-(4-hydroxyphenyl)propionic acid beta-Tyrosine beta-tyrosine
hmdb:HMDB0003831 JYPHNHPXFNEZBR-UHFFFAOYSA-N	Beta-Tyrosine 3-Amino-3-(4-hydroxyphenyl)propanoate 3-Amino-3-(4-hydroxyphenyl)propanoic acid 3-Amino-3-(4-hydroxyphenyl)propionate 3-Amino-3-(4-hydroxyphenyl)propionic acid 3-amino-3-(4-hydroxyphenyl)propanoic acid b-Tyrosine beta-Tyrosine beta-tyrosine
seed.compound:cpd02674 seedM:cpd02674 JYPHNHPXFNEZBR-UHFFFAOYSA-N	beta-Tyrosine (S)-3-amino-3-(4-hydroxyphenyl)propanoate (S)-beta-tyrosine 3-Amino-3-(4-hydroxyphenyl)propanoate 3-amino-3-(4-hydroxyphenyl)propanoate CPD-16631
sabiork.compound:2714 sabiorkM:2714 JYPHNHPXFNEZBR-UHFFFAOYSA-N	beta-Tyrosine 3-Amino-3-(4-hydroxyphenyl)propanoate
metacyc.compound:CPD-16631 metacycM:CPD-16631 JYPHNHPXFNEZBR-UHFFFAOYSA-N	beta-tyrosine 3-amino-3-(4-hydroxyphenyl)propanoate 3-amino-3-(4-hydroxyphenyl)propanoic acid
hmdb:HMDB03831 chebi:11757 chebi:1450 chebi:19961 keggC:M_C04368 keggC:M_C21308 seedM:M_cpd02674	secondary/obsolete/fantasy identifier