CHEBI:174983 - 4-hydroxy-D4-neuroprostane

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 4-hydroxy-D4-neuroprostane
ChEBI ID CHEBI:174983
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-19,21,23,25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+
InChIKey IDXBOXWUWDDSSX-GSPMAKDWSA-N
SMILES OC1C(C(C(=O)C1)C/C=C\C/C=C\C/C=C\CC)/C=C/C(O)CCC(O)=O
ChEBI Ontology
Outgoing 4-hydroxy-D4-neuroprostane (CHEBI:174983) is a prostanoid (CHEBI:26347)
IUPAC Name
(E)-4-hydroxy-6-[5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
Manual Xrefs Databases
35032547 ChemSpider
5Z13E-15S-1115-DIHYDROXY-9-OXOPROS MetaCyc
C00584 KEGG COMPOUND
HMDB0012777 HMDB
View more database links