CHEBI:183077 - Fulvyne E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fulvyne E
ChEBI ID CHEBI:183077
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)34-35-43(53)32-23-31-42(52)30-22-29-41(51)28-20-15-14-19-27-40(50)26-18-12-9-11-17-25-39(49)24-16-10-7-5-3-4-6-8-13-21-33-44(54)47(58)45(55)36-37-46(56)57/h1,17,25,34-35,38-39,41-45,47-49,51-55,58H,3-16,18-19,21,23-24,26-27,30-33H2,(H,56,57)/b25-17+,35-34+
InChIKey YPUIYSDVTYZCKL-ZRDMWHDZSA-N
SMILES OC(CCCCCCCCCCCCC(O)/C=C/CCCCCC(=O)CCCCC#CC(O)C#CCC(O)CCCC(O)/C=C/C(O)C#C)C(O)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 E (CHEBI:183077) is a acetylenic fatty acid (CHEBI:25380)
Fulvyne E (CHEBI:183077) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
(20E,43E)-4,5,6,19,34,38,42,45-octahydroxy-27-oxoheptatetraconta-20,43-dien-2,32,35,46-tetraynoic acid
Manual Xref Database
29212556 ChemSpider
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Last Modified
22 August 2023