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

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compound 0042610

	Properties	Image
MNX_ID	MNXM504766
reference	envipathM:...c15c540a7b04
formula	C₉H₁₀NO₃
global charge	-1
mol weight	180.183
InChIKey	VHVGNTVUSQUXPS-UHFFFAOYSA-M
InChI	InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/p-1
SMILES	NC(C(=O)[O-])C(O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7?,8?
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([CH:8]([CH:7]([C:9](=[O:12])[OH:13])[NH2:10])[OH:11])[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
envipath:...c15c540a7b04 envipathM:...c15c540a7b04 VHVGNTVUSQUXPS-UHFFFAOYSA-M	compound 0042610
hmdb:HMDB0244981 VHVGNTVUSQUXPS-UHFFFAOYSA-N	2-Amino-3-hydroxy-3-phenylpropanoic acid (2Rs,3Sr)-2-Amino-3-hydroxy-3-phenylpropanoic acid 2-Amino-3-hydroxy-3-phenylpropanoate 2-amino-3-hydroxy-3-phenylpropanoic acid Threo-beta-phenylserine beta-Hydroxyphenylalanine beta-Hydroxyphenylalanine, (DL)-isomer beta-Hydroxyphenylalanine, erythro-(DL)-isomer beta-Hydroxyphenylalanine, threo-(DL)-isomer beta-Hydroxyphenylalanine, threo-(L)-isomer beta-Phenylserine m-tyrosine
sabiork.compound:27755 sabiorkM:27755 VHVGNTVUSQUXPS-UHFFFAOYSA-N	DL-beta-Phenylserine DL-3-Phenylserine DL-Threo-3-phenylserine