CHEBI:140934 - 5S-HEPE

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ChEBI Name 5S-HEPE
ChEBI ID CHEBI:140934
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H30O3
Net Charge 0
Average Mass 318.451
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
InChIKey FTAGQROYQYQRHF-GHWNLOBHSA-N
SMILES C(=C\C=C\[C@H](CCCC(O)=O)O)\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 )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via HEPE )
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ChEBI Ontology
Outgoing 5S-HEPE (CHEBI:140934) is a HEPE (CHEBI:72799)
5S-HEPE (CHEBI:140934) is conjugate acid of 5(S)-HEPE(1−) (CHEBI:195400)
Incoming 5(S)-HEPE(1−) (CHEBI:195400) is conjugate base of 5S-HEPE (CHEBI:140934)
Manual Xrefs Databases
HMDB0062408 HMDB
LMFA03070010 LIPID MAPS
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Last Modified
04 June 2018