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CHEBI:167563 - soppiline C

ChEBI IDCHEBI:167563
ChEBI Namesoppiline C
Stars
DefinitionA member of the class of resorcinols that is 16-(3,5-dihydroxyphenyl)hexadecanoic acid which carries cis double bonds at positions 10 and 14, a trans double bond at position 12, and an ethylidene group at position 2.
Last Modified25 February 2021
SubmitterAdnan
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILESC/C=C(/CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O
InChIInChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2-
InChIKeyKNXPXXWZSYPYFN-VQJZLJOXSA-N
Species of MetaboliteComponentSourceComments
Penicillium soppi (ncbitaxon:69789) - PubMed (31086874)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
soppiline C (CHEBI:167563) has role Penicillium metabolite (CHEBI:76964)
soppiline C (CHEBI:167563) is a hydroxy monocarboxylic acid (CHEBI:35868)
soppiline C (CHEBI:167563) is a olefinic compound (CHEBI:78840)
soppiline C (CHEBI:167563) is a polyketide (CHEBI:26188)
soppiline C (CHEBI:167563) is a resorcinols (CHEBI:33572)
soppiline C (CHEBI:167563) is conjugate acid of soppiline C(1−) (CHEBI:167551)
Incoming Relation(s)
soppiline C(1−) (CHEBI:167551) is conjugate base of soppiline C (CHEBI:167563)
IUPAC Name 
(2Z,10Z,12E,14Z)-16-(3,5-dihydroxyphenyl)-2-ethylidenehexadeca-10,12,14-trienoic acid
Citations