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CHEBI:217154 - Flavocristamide A

ChEBI IDCHEBI:217154
ChEBI NameFlavocristamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H67NO6S
Net Charge0
Average Mass617.978
Monoisotopic Mass617.46891
SMILESCC(C)CCCCCCCCC/C=C/[C@@H](O)[C@@H](CS(=O)(=O)O)NC(=O)C[C@H](O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C34H67NO6S/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/h22,26,29-33,36-37H,5-21,23-25,27-28H2,1-4H3,(H,35,38)(H,39,40,41)/b26-22+/t31-,32-,33-/m1/s1
InChIKeyYPDRPLLLEHXCJA-QKNMFFFZSA-N
Species of MetaboliteComponentSourceComments
Flavobacteriumspecies (ncbitaxon:239) - DOI (10.1016/0040-4020(95)00631-h)
ChEBI Ontology
Outgoing Relation(s)
Flavocristamide A (CHEBI:217154) is a fatty amide (CHEBI:29348)
IUPAC Name 
(E,2S,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methylhexadecanoyl]amino]-15-methylhexadec-4-ene-1-sulonic acid
Manual XrefsDatabases
78438653ChemSpider