n-pentacosanoyl taurine (CHEBI:229863)

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	n-pentacosanoyl taurine

ChEBI ID	CHEBI:229863

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

Submitter	MetaboLights

Supplier Information	eMolecules:17120517, ZINC000064858820

Download	Molfile XML SDF

Formula

C27H55NO4S

Net Charge

Average Mass

489.800

Monoisotopic Mass

489.38518

InChI

InChI=1S/C27H55NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)28-25-26-33(30,31)32/h2-26H2,1H3,(H,28,29)(H,30,31,32)

InChIKey

ONVQHMYEDIKEFP-UHFFFAOYSA-N

SMILES

S(O)(=O)(=O)CCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	n-pentacosanoyl taurine (CHEBI:229863) is a organosulfonic acid (CHEBI:33551)

IUPAC Name

2-(pentacosanoylamino)ethanesulonic acid