1233A (CHEBI:219779)

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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	1233A

ChEBI ID	CHEBI:219779

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H28O5

Net Charge

Average Mass

324.417

Monoisotopic Mass

324.19367

InChI

InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)

InChIKey

ODCZJZWSXPVLAW-UHFFFAOYSA-N

SMILES

O=C1OC(CCCCC(CC(=CC(=CC(=O)O)C)C)C)C1CO

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	1233A (CHEBI:219779) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

11-[3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid