Sulfamisterin (CHEBI:185769)

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CHEBI:185769 - Sulfamisterin

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ChEBI ID	CHEBI:185769
ChEBI Name	Sulfamisterin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H36NO8S.Na
Net Charge	0
Average Mass	461.553
Monoisotopic Mass	461.20593
SMILES	CCCCCCC(=O)CCCCCCCC[C@@H](OS(=O)(=O)[O-])[C@@](N)(CO)C(=O)O.[Na+]
InChI	InChI=1S/C19H37NO8S.Na/c1-2-3-4-9-12-16(22)13-10-7-5-6-8-11-14-17(28-29(25,26)27)19(20,15-21)18(23)24;/h17,21H,2-15,20H2,1H3,(H,23,24)(H,25,26,27);/q;+1/p-1/t17-,19+;/m1./s1
InChIKey	PGDNRSKECWNWIQ-ZFNKBKEPSA-M

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Sulfamisterin (CHEBI:185769) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
sodium;[(2S,3R)-2-amino-2-carboxy-1-hydroxy-12-oxooctadecan-3-yl] sulate

Manual Xrefs	Databases
24823220	ChemSpider
LMSP01080021	LIPID MAPS