CHEBI:183074 - Fulvyne B

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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 B
ChEBI ID CHEBI:183074
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H72O12
Net Charge 0
Average Mass 829.081
Monoisotopic Mass 828.50238
InChI InChI=1S/C47H72O12/c1-2-37(48)31-32-41(52)28-22-30-42(53)43(54)34-33-40(51)27-20-15-19-26-39(50)25-18-13-10-12-17-24-38(49)23-16-11-8-6-4-3-5-7-9-14-21-29-44(55)47(59)45(56)35-36-46(57)58/h1,18,25,31-32,37,39-45,47-48,50-56,59H,3-17,19,21-24,26,28-30H2,(H,57,58)/b25-18+,32-31+
InChIKey SWJKUWCDHPPENI-MOXTZTJUSA-N
SMILES OC(CCCCCCCCCCCCCC(=O)CCCCC/C=C/C(O)CCCC#CC(O)C#CC(O)C(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 B (CHEBI:183074) is a acetylenic fatty acid (CHEBI:25380)
Fulvyne B (CHEBI:183074) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
(26E,43E)-4,5,6,28,34,37,38,42,45-nonahydroxy-20-oxoheptatetraconta-26,43-dien-2,32,35,46-tetraynoic acid
Manual Xref Database
29212546 ChemSpider
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Last Modified
22 August 2023