Communiol B (CHEBI:202798)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Communiol B

ChEBI ID	CHEBI:202798

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18O4

Net Charge

Average Mass

214.261

Monoisotopic Mass

214.12051

InChI

InChI=1S/C11H18O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h3,5,8-10,12H,2,4,6-7H2,1H3,(H,13,14)/b5-3+/t8-,9+,10+/m1/s1

InChIKey

JWXVXVPNKJNCSL-WTIWNBOUSA-N

SMILES

O=C(O)/C=C/C[C@H]1CO[C@@H](C1)[C@@H](O)CC

Metabolite of Species	Details
Podospora communis (NCBI:txid438773)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Communiol B (CHEBI:202798) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

(E)-4-[(3R,5S)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]but-2-enoic acid