CHEBI:35904 - 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate
ChEBI ID CHEBI:35904
Definition A 2-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H7O4S
Net Charge -1
Average Mass 247.24700
Monoisotopic Mass 247.00705
InChI InChI=1S/C12H8O4S/c13-8(12(15)16)5-6-10-11(14)7-3-1-2-4-9(7)17-10/h1-6,14H,(H,15,16)/p-1
InChIKey CSURGFUIIZATMZ-UHFFFAOYSA-M
SMILES [H]C(=CC(=O)C([O-])=O)c1sc2ccccc2c1O
ChEBI Ontology
Outgoing 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904) has functional parent but-3-enoate (CHEBI:35900)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904) is a 1-benzothiophenes (CHEBI:38836)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904) is conjugate base of 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62604)
Incoming cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:23297) is a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904)
trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:27056) is a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904)
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (CHEBI:62604) is conjugate acid of 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate (CHEBI:35904)
IUPAC Name
4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate
Last Modified
13 July 2011