EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167558 - soppiline A(1−)

ChEBI IDCHEBI:167558
ChEBI Namesoppiline A(1−)
Stars
ASCII Namesoppiline A(1-)
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of soppiline A, arising from the deprotonation of the carboxy group. Major species at pH 7.3.
Last Modified25 February 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H33O3
Net Charge-1
Average Mass333.492
Monoisotopic Mass333.24352
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)/p-1/b7-5-,11-9+,15-13-,19-3+/t20-/m1/s1
InChIKeyFPUNLEAKMBDJNH-ZVJVAIEISA-M
ChEBI Ontology
Outgoing Relation(s)
soppiline A(1−) (CHEBI:167558) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
soppiline A(1−) (CHEBI:167558) is a hydroxy polyunsaturated fatty acid anion (CHEBI:131871)
soppiline A(1−) (CHEBI:167558) is a long-chain fatty acid anion (CHEBI:57560)
soppiline A(1−) (CHEBI:167558) is conjugate base of soppiline A (CHEBI:167562)
Incoming Relation(s)
soppiline A (CHEBI:167562) is conjugate acid of soppiline A(1−) (CHEBI:167558)
IUPAC Name 
(3R,5Z,7E,9Z,18E)-3-hydroxy-18-methylicosa-5,7,9,18-tetraenoate
Synonym  Source
soppiline A anionChEBI
UniProt Name  Source
soppiline AUniProt
Citations