Valsafungin A (CHEBI:218656)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Valsafungin A

ChEBI ID	CHEBI:218656

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H38O4

Net Charge

Average Mass

330.509

Monoisotopic Mass

330.27701

InChI

InChI=1S/C19H38O4/c1-2-3-4-11-14-18(21)15-12-9-7-5-6-8-10-13-17(16-20)19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1

InChIKey

XGGSJERMQWHBRI-QZTJIDSGSA-N

SMILES

O=C(O)[C@@H](CO)CCCCCCCCC[C@H](O)CCCCCC

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	Valsafungin A (CHEBI:218656) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(2R,12R)-12-hydroxy-2-(hydroxymethyl)octadecanoic acid