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CHEBI:167562 - soppiline A

ChEBI IDCHEBI:167562
ChEBI Namesoppiline A
Stars
DefinitionA hydroxy monocarboxylic acid that is icosanoic acid carrying a hydroxy group at position 3R, methyl group at position 18, cis double bonds at positions 5 and 9, and trans double bonds at positions 7 and 18.
Last Modified25 February 2021
SubmitterAdnan
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILESC/C=C(\C)CCCCCCC/C=C\C=C\C=C/C[C@@H](O)CC(=O)O
InChIInChI=1S/C21H34O3/c1-3-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-20(22)18-21(23)24/h3,5,7,9,11,13,15,20,22H,4,6,8,10,12,14,16-18H2,1-2H3,(H,23,24)/b7-5-,11-9+,15-13-,19-3+/t20-/m1/s1
InChIKeyFPUNLEAKMBDJNH-ZVJVAIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium soppii (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 A (CHEBI:167562) has role Penicillium metabolite (CHEBI:76964)
soppiline A (CHEBI:167562) is a hydroxy monocarboxylic acid (CHEBI:35868)
soppiline A (CHEBI:167562) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
soppiline A (CHEBI:167562) is a long-chain fatty acid (CHEBI:15904)
soppiline A (CHEBI:167562) is conjugate acid of soppiline A(1−) (CHEBI:167558)
Incoming Relation(s)
soppiline A(1−) (CHEBI:167558) is conjugate base of soppiline A (CHEBI:167562)
IUPAC Name 
(3R,5Z,7E,9Z,18E)-3-hydroxy-18-methylicosa-5,7,9,18-tetraenoic acid
Citations