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CHEBI:197181 - Oleic Acid-biotin

ChEBI IDCHEBI:197181
ChEBI NameOleic Acid-biotin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H60N4O3S
Net Charge0
Average Mass592.935
Monoisotopic Mass592.43861
SMILESCCCCCCCCC=CCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21
InChIInChI=1S/C33H60N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23-30(38)34-25-20-16-21-26-35-31(39)24-19-18-22-29-32-28(27-41-29)36-33(40)37-32/h9-10,28-29,32H,2-8,11-27H2,1H3,(H,34,38)(H,35,39)(H2,36,37,40)
InChIKeyBXXNXBAVXQJVER-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Oleic Acid-biotin (CHEBI:197181) is a tetrahydrothiophenes (CHEBI:48224)
IUPAC Name 
N-[5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]octadec-9-enamide
Manual XrefsDatabases
26458618ChemSpider