CHEBI:202801 - Tanzawaic acid P

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ChEBI Name Tanzawaic acid P
ChEBI ID CHEBI:202801
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H27ClO4
Net Charge 0
Average Mass 342.860
Monoisotopic Mass 342.15979
InChI InChI=1S/C18H27ClO4/c1-10-8-18(3,23)9-13-15(10)12(6-4-5-7-14(20)21)11(2)17(22)16(13)19/h4-7,10-13,15-17,22-23H,8-9H2,1-3H3,(H,20,21)/b6-4+,7-5+/t10-,11-,12+,13+,15-,16+,17+,18-/m1/s1
InChIKey LQERRSZNVUJFFC-GKRHHQKTSA-N
SMILES Cl[C@@H]1[C@@H](O)[C@@H]([C@H](/C=C/C=C/C(=O)O)[C@@H]2[C@@H]1C[C@@](O)(C)C[C@H]2C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Tanzawaic acid P (CHEBI:202801) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2E,4E)-5-[(1R,2R,3S,4S,4aS,6R,8R,8aR)-4-chloro-3,6-dihydroxy-2,6,8-trimethyl-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-1-yl]penta-2,4-dienoic acid
Manual Xref Database
35517052 ChemSpider
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