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CHEBI:213161 - Tanzawaic acid S

ChEBI IDCHEBI:213161
ChEBI NameTanzawaic acid S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O4
Net Charge0
Average Mass320.429
Monoisotopic Mass320.19876
SMILESCO[C@@H]1C=C(C)[C@H](C=CC=CC(=O)O)[C@@H]2[C@@H]1C[C@@H](CO)C[C@H]2C
InChIInChI=1S/C19H28O4/c1-12-9-17(23-3)16-10-14(11-20)8-13(2)19(16)15(12)6-4-5-7-18(21)22/h4-7,9,13-17,19-20H,8,10-11H2,1-3H3,(H,21,22)/t13-,14+,15+,16-,17-,19-/m1/s1
InChIKeyMOMGJYZDUGOHCM-RFRLJHHNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29329204)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tanzawaic acid S (CHEBI:213161) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-[(1R,4S,4aS,6S,8R,8aR)-6-(hydroxymethyl)-4-methoxy-2,8-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid