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CHEBI:183074 - Fulvyne B

ChEBI IDCHEBI:183074
ChEBI NameFulvyne B
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)C(O)C#CC(O)C#CCCCC(O)/C=C/CCCCCC(=O)CCCCCCCCCCCCCC(O)C(O)C(O)C#CC(=O)O
InChIInChI=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+
InChIKeySWJKUWCDHPPENI-MOXTZTJUSA-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 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 XrefsDatabases
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