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CHEBI:183075 - Fulvyne C

ChEBI IDCHEBI:183075
ChEBI NameFulvyne C
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#CCCCCC(=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)28-22-30-42(53)43(54)34-33-40(51)27-20-15-14-19-26-39(50)25-18-12-9-11-17-24-38(49)23-16-10-7-5-3-4-6-8-13-21-29-44(55)47(59)45(56)35-36-46(57)58/h1,17,24,31-32,37-38,40-45,47-49,51-56,59H,3-16,18-19,21-23,25-26,28-30H2,(H,57,58)/b24-17+,32-31+
InChIKeyUZAJTRNBLWGVHN-FAPUTINHSA-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 C (CHEBI:183075) is a acetylenic fatty acid (CHEBI:25380)
Fulvyne C (CHEBI:183075) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(20E,43E)-4,5,6,19,34,37,38,42,45-nonahydroxy-27-oxoheptatetraconta-20,43-dien-2,32,35,46-tetraynoic acid
Manual XrefsDatabases
29212547ChemSpider