CHEBI:174980 - 17-hydroxy-E4-neuroprostane

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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 17-hydroxy-E4-neuroprostane
ChEBI ID CHEBI:174980
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/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-19,21,23,25H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-3-,9-6-,15-14+
InChIKey ULILMUUUHYDFOW-HOGCIABESA-N
SMILES OC1C(C(C(=O)C1)C/C=C\C/C=C\CCC(O)=O)/C=C/C(O)C/C=C\CC
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 17-hydroxy-E4-neuroprostane (CHEBI:174980) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(4Z,7Z)-9-[3-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]nona-4,7-dienoic acid
Manual Xrefs Databases
35032544 ChemSpider
5Z13E-15S-1115-DIHYDROXY-9-OXOPROS MetaCyc
C00584 KEGG COMPOUND
HMDB0012601 HMDB
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