CHEBI:189983 - 5-Pentacosyl-1,3-benzenediol

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 5-Pentacosyl-1,3-benzenediol
ChEBI ID CHEBI:189983
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H56O2
Net Charge 0
Average Mass 460.787
Monoisotopic Mass 460.42803
InChI InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3
InChIKey GDJMJAKVVSGNLA-UHFFFAOYSA-N
SMILES OC1=CC(CCCCCCCCCCCCCCCCCCCCCCCCC)=CC(O)=C1
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 5-Pentacosyl-1,3-benzenediol (CHEBI:189983) is a resorcinols (CHEBI:33572)
IUPAC Name
5-pentacosylbenzene-1,3-diol
Manual Xrefs Databases
136954 ChemSpider
HMDB0038485 HMDB
LMPK15030007 LIPID MAPS
View more database links
Registry Number Type Source
70110-61-1 CAS Registry Number ChemIDplus