(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate (CHEBI:140647)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate

ChEBI ID	CHEBI:140647

ChEBI ASCII Name	(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate

Stars	This entity has been manually annotated by a third party.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C10H8NO3

Net Charge

-1

Average Mass

190.176

Monoisotopic Mass

190.05097

InChI

InChI=1S/C10H9NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6H2,(H,13,14)/p-1/t9-/m0/s1

InChIKey

YAVJAMZLLTZAJX-VIFPVBQESA-M

SMILES

O=C([O-])[C@@H]([N+]#[C-])CC=1C=CC(=CC1)O

ChEBI Ontology
Outgoing	(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate (CHEBI:140647) has functional parent L-tyrosine (CHEBI:17895) (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate (CHEBI:140647) is a organic molecular entity (CHEBI:50860)

Synonyms	Sources
(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate	UniProt
L-tyrosine isonitrile	SUBMITTER