CHEBI:165251 - 4,5-DiHDPE

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ChEBI Name 4,5-DiHDPE
ChEBI ID CHEBI:165251
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H34O4
Net Charge 0
Average Mass 362.510
Monoisotopic Mass 362.24571
InChI InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21(24)18-19-22(25)26/h3-4,6-7,9-10,12-13,15-16,20-21,23-24H,2,5,8,11,14,17-19H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey AKRBWLIIEKRUBD-JLNKQSITSA-N
SMILES OC(C(O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CCC(O)=O
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 4,5-DiHDPE (CHEBI:165251) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name
(7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoic acid