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CHEBI:200751 - Sulfobacin A

ChEBI IDCHEBI:200751
ChEBI NameSulfobacin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H69NO6S
Net Charge0
Average Mass619.994
Monoisotopic Mass619.48456
SMILESCC(C)CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CS(=O)(=O)O)[C@H](O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C34H69NO6S/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(36)27-34(38)35-32(28-42(39,40)41)33(37)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-33,36-37H,5-28H2,1-4H3,(H,35,38)(H,39,40,41)/t31-,32+,33-/m1/s1
InChIKeyIENDTBZONILTAG-XKKJXBDVSA-N
Species of MetaboliteComponentSourceComments
Chryseobacterium (ncbitaxon:59732) - PubMed (7592056)
ChEBI Ontology
Outgoing Relation(s)
Sulfobacin A (CHEBI:200751) is a fatty amide (CHEBI:29348)
IUPAC Name 
(2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methylhexadecanoyl]amino]-15-methylhexadecane-1-sulonic acid
Manual XrefsDatabases
8614276ChemSpider