CHEBI:183078 - Fulvyne F

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ChEBI Name Fulvyne F
ChEBI ID CHEBI:183078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H72O11
Net Charge 0
Average Mass 813.082
Monoisotopic Mass 812.50746
InChI InChI=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+
InChIKey UFVWHUJBWYDNGU-SYCOVXQPSA-N
SMILES OC(CCCCCCCCCCCCCC(O)/C=C/CCCCCC(=O)CCCC(O)C#CC(O)C#CCC(O)CCCC(O)/C=C/C(O)C#C)C(O)C#CC(O)=O
Metabolite of Species Details
Haliclona fulva (NCBI:txid608202) Found in Whole Organism (NCIT:C13413) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
29212557 ChemSpider
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Last Modified
22 August 2023