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CHEBI:183076 - Fulvyne D

ChEBI IDCHEBI:183076
ChEBI NameFulvyne D
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#CCCCC(O)/C=C/CCCCCC(=O)CCCCCCCCCCCCCC(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)28-20-15-19-27-40(50)26-18-13-10-12-17-25-39(49)24-16-11-8-6-4-3-5-7-9-14-21-33-44(54)47(58)45(55)36-37-46(56)57/h1,18,26,34-35,38,40-45,47-48,50-55,58H,3-17,19,21,23-25,27,30-33H2,(H,56,57)/b26-18+,35-34+
InChIKeyJAIQFSWCCDSXGQ-WWXYOYBQSA-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 D (CHEBI:183076) is a acetylenic fatty acid (CHEBI:25380)
Fulvyne D (CHEBI:183076) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(26E,43E)-4,5,6,28,34,38,42,45-octahydroxy-20-oxoheptatetraconta-26,43-dien-2,32,35,46-tetraynoic acid
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