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CHEBI:183077 - Fulvyne E

ChEBI IDCHEBI:183077
ChEBI NameFulvyne E
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#CCCCCC(=O)CCCCC/C=C/C(O)CCCCCCCCCCCCC(O)C(O)C(O)C#CC(=O)O
InChIInChI=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+
InChIKeyYPUIYSDVTYZCKL-ZRDMWHDZSA-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 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
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