Tanzawaic acid P (CHEBI:202801)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202801 - Tanzawaic acid P

Take structure to advanced search

ChEBI ID	CHEBI:202801
ChEBI Name	Tanzawaic acid P
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H27ClO4
Net Charge	0
Average Mass	342.863
Monoisotopic Mass	342.15979
SMILES	C[C@H]1[C@H](O)[C@@H](Cl)[C@H]2C[C@](C)(O)C[C@@H](C)[C@@H]2[C@H]1/C=C/C=C/C(=O)O
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

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (26055397)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
35517052	ChemSpider