EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208845 - Penigrisacid C

ChEBI IDCHEBI:208845
ChEBI NamePenigrisacid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O5
Net Charge0
Average Mass284.352
Monoisotopic Mass284.16237
SMILESCC(C)(O)[C@@H]1CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)O)CC[C@@H]13
InChIInChI=1S/C15H24O5/c1-13(2,18)9-3-5-14-7-11(20-8-14)15(19,12(16)17)6-4-10(9)14/h9-11,18-19H,3-8H2,1-2H3,(H,16,17)/t9-,10+,11-,14-,15-/m1/s1
InChIKeyHAYWOURFBUULOE-SPSJUYOASA-N
Species of MetaboliteComponentSourceComments
Penicillium griseofulvum (ncbitaxon:5078) - PubMed (31470535)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penigrisacid C (CHEBI:208845) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
(1S,4R,5S,8R,9R)-8-hydroxy-4-(2-hydroxypropan-2-yl)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
Manual XrefsDatabases
81131463ChemSpider