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CHEBI:183078 - Fulvyne F

ChEBI IDCHEBI:183078
ChEBI NameFulvyne F
Stars
Last Modified22 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H72O11
Net Charge0
Average Mass813.082
Monoisotopic Mass812.50746
SMILESC#CC(O)/C=C/C(O)CCCC(O)CC#CC(O)C#CC(O)CCCC(=O)CCCCC/C=C/C(O)CCCCCCCCCCCCCC(O)C(O)C#CC(=O)O
InChIInChI=1S/C47H72O11/c1-2-38(48)32-33-42(52)28-20-26-41(51)27-21-30-44(54)35-34-43(53)29-19-25-40(50)24-17-13-10-12-16-23-39(49)22-15-11-8-6-4-3-5-7-9-14-18-31-45(55)46(56)36-37-47(57)58/h1,16,23,32-33,38-39,41-46,48-49,51-56H,3-15,17-20,22,24-29,31H2,(H,57,58)/b23-16+,33-32+
InChIKeyUFVWHUJBWYDNGU-SYCOVXQPSA-N
Species of MetaboliteComponentSourceComments
Haliclona fulva (ncbitaxon:608202) Whole Organism (NCIT:C13413) MetaboLights (MTBLS638)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fulvyne F (CHEBI:183078) is a acetylenic fatty acid (CHEBI:25380)
Fulvyne F (CHEBI:183078) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(20E,43E)-4,5,19,31,34,38,42,45-octahydroxy-27-oxoheptatetraconta-20,43-dien-2,32,35,46-tetraynoic acid
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