EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214402 - Hygrophorone B16

ChEBI IDCHEBI:214402
ChEBI NameHygrophorone B16
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40O4
Net Charge0
Average Mass368.558
Monoisotopic Mass368.29266
SMILESCCCCCCCCCCCCCCCCC(O)[C@]1(O)C(=O)C=C[C@H]1O
InChIInChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)22(26)20(24)17-18-21(22)25/h17-20,23-24,26H,2-16H2,1H3/t19?,20-,22-/m1/s1
InChIKeyBWKGMCPPKSWXJI-NQUCAWMESA-N
Species of MetaboliteComponentSourceComments
Hygrophorus persoonii (ncbitaxon:1032769) - PubMed (15110686)
ChEBI Ontology
Outgoing Relation(s)
Hygrophorone B16 (CHEBI:214402) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(4R,5R)-4,5-dihydroxy-5-(1-hydroxyheptadecyl)cyclopent-2-en-1-one
Manual XrefsDatabases
78437513ChemSpider