CHEBI:165271 - 5S-HpEPE

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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 5S-HpEPE
ChEBI ID CHEBI:165271
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
InChIKey NKXYOIJDQPQELO-GHWNLOBHSA-N
SMILES O(O)[C@@H](CCCC(O)=O)/C=C/C=C\C/C=C\C/C=C\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 )
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ChEBI Ontology
Outgoing 5S-HpEPE (CHEBI:165271) is a HPETE (CHEBI:24644)
5S-HpEPE (CHEBI:165271) is conjugate acid of 5(S)-HpEPE(1−) (CHEBI:195399)
Incoming 5(S)-HpEPE(1−) (CHEBI:195399) is conjugate base of 5S-HpEPE (CHEBI:165271)
IUPAC Name
(5S,6E,8Z,11Z,14Z,17Z)-5-hydroperoxyicosa-6,8,11,14,17-pentaenoic acid
Manual Xrefs Databases
4446306 ChemSpider
LMFA03070001 LIPID MAPS
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