CHEBI:165753 - 8R,11S-DiHODE

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 8R,11S-DiHODE
ChEBI ID CHEBI:165753
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O4
Net Charge 0
Average Mass 312.450
Monoisotopic Mass 312.23006
InChI InChI=1S/C18H32O4/c1-2-3-4-5-8-11-16(19)14-15-17(20)12-9-6-7-10-13-18(21)22/h8,11,14-17,19-20H,2-7,9-10,12-13H2,1H3,(H,21,22)/b11-8-,15-14-/t16-,17+/m0/s1
InChIKey PIQZTMSSBGKFNU-UZDJSAAESA-N
SMILES O[C@H](CCCCCCC(O)=O)/C=C\[C@@H](O)/C=C\CCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8R,11S-DiHODE (CHEBI:165753) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name
(8R,9Z,11S,12Z)-8,11-dihydroxyoctadeca-9,12-dienoic acid
Manual Xrefs Databases
79413385 ChemSpider
LMFA02000064 LIPID MAPS
View more database links
Last Modified
24 February 2022