CHEBI:193426 - 31-hydroxy-4Z,18Z,29E-tritriacontatrien-2,32-diynoic acid

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ChEBI Name 31-hydroxy-4Z,18Z,29E-tritriacontatrien-2,32-diynoic acid
ChEBI ID CHEBI:193426
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H52O3
Net Charge 0
Average Mass 496.776
Monoisotopic Mass 496.39165
InChI InChI=1S/C33H52O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,6,8,25,27-28,30,32,34H,3-5,7,9-24,26H2,(H,35,36)/b8-6-,27-25-,30-28+
InChIKey IFPTUQDJYQOXAI-JGVVYTLBSA-N
SMILES OC(\C=C\CCCCCCCCC/C=C\CCCCCCCCCCCC/C=C\C#CC(O)=O)C#C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
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 31-hydroxy-4Z,18Z,29E-tritriacontatrien-2,32-diynoic acid (CHEBI:193426) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name
(4Z,18Z,29E)-31-hydroxytritriaconta-4,18,29-trien-2,32-diynoic acid
Manual Xrefs Databases
8250106 ChemSpider
LMFA01031127 LIPID MAPS
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