CHEBI:137503 - 5-(3,4-dihydroxyphenyl)pentanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-(3,4-dihydroxyphenyl)pentanoic acid
ChEBI ID CHEBI:137503
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C11H14O4
Net Charge 0
Average Mass 210.227
Monoisotopic Mass 210.08921
InChI InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)
InChIKey KTDWBJGUMIZRHU-UHFFFAOYSA-N
SMILES C=1(C=CC(=C(C1)O)O)CCCCC(O)=O
ChEBI Ontology
Outgoing 5-(3,4-dihydroxyphenyl)pentanoic acid (CHEBI:137503) is a catechols (CHEBI:33566)
Incoming 5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (CHEBI:149595) has functional parent 5-(3,4-dihydroxyphenyl)pentanoic acid (CHEBI:137503)
Manual Xrefs Databases
30776738 ChemSpider
HMDB0029233 HMDB
View more database links
Last Modified
22 June 2017