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CHEBI:183073 - Fulvyne A

ChEBI IDCHEBI:183073
ChEBI NameFulvyne A
Stars
Last Modified22 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H72O12
Net Charge0
Average Mass829.081
Monoisotopic Mass828.50238
SMILESC#CC(O)/C=C/C(O)CCCC(O)CC#CC(O)C#CC(O)CCCC(=O)CCCCC/C=C/C(O)CCCCCCCCCCCCC(O)C(O)C(O)C#CC(=O)O
InChIInChI=1S/C47H72O12/c1-2-37(48)31-32-41(52)27-19-25-40(51)26-20-29-43(54)34-33-42(53)28-18-24-39(50)23-16-12-9-11-15-22-38(49)21-14-10-7-5-3-4-6-8-13-17-30-44(55)47(59)45(56)35-36-46(57)58/h1,15,22,31-32,37-38,40-45,47-49,51-56,59H,3-14,16-19,21,23-28,30H2,(H,57,58)/b22-15+,32-31+
InChIKeyHCYVKXJJRVFHDS-WWKKMSDWSA-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 A (CHEBI:183073) is a acetylenic fatty acid (CHEBI:25380)
Fulvyne A (CHEBI:183073) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(20E,43E)-4,5,6,19,31,34,38,42,45-nonahydroxy-27-oxoheptatetraconta-20,43-dien-2,32,35,46-tetraynoic acid
Manual XrefsDatabases
28289551ChemSpider