CHEBI:185769 - Sulfamisterin

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ChEBI Name Sulfamisterin
ChEBI ID CHEBI:185769
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H36NO8S.Na
Net Charge 0
Average Mass 461.550
Monoisotopic Mass 461.20593
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
SMILES S(O[C@H](CCCCCCCCC(=O)CCCCCC)[C@@](N)(CO)C(O)=O)([O-])(=O)=O.[Na+]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
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