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CHEBI:219357 - Aspterric acid

ChEBI IDCHEBI:219357
ChEBI NameAspterric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC(C)=C1CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)O)CC[C@@H]13
InChIInChI=1S/C15H22O4/c1-9(2)10-3-5-14-7-12(19-8-14)15(18,13(16)17)6-4-11(10)14/h11-12,18H,3-8H2,1-2H3,(H,16,17)/t11-,12+,14+,15+/m0/s1
InChIKeyIOYVXXQKVQKQIG-CTHBEMJXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/c39780000160)
Aspergillus terreus (ncbitaxon:33178) - PubMed (12132685)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Aspterric acid (CHEBI:219357) is a hydroxy monocarboxylic acid (CHEBI:35868)
Aspterric acid (CHEBI:219357) is conjugate acid of aspterrate (CHEBI:234452)
Incoming Relation(s)
aspterrate (CHEBI:234452) is conjugate base of Aspterric acid (CHEBI:219357)
IUPAC Names 
(1S,5S,7R,8R)-7-hydroxy-4-propan-2-ylidene-9-oxatricyclo[6.2.1.01,5]undecane-7-carboxylic acid
(1S,5S,8R,9R)-8-hydroxy-4-propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
Manual XrefsDatabases
19992309ChemSpider