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CHEBI:184031 - Biotin-xx hydrazide

ChEBI IDCHEBI:184031
ChEBI NameBiotin-xx hydrazide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40N6O4S
Net Charge0
Average Mass484.667
Monoisotopic Mass484.28317
SMILES[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NN)[C@@]1([H])NC(=O)N2
InChIInChI=1S/C22H40N6O4S/c23-28-20(31)12-4-2-8-14-24-18(29)10-3-1-7-13-25-19(30)11-6-5-9-17-21-16(15-33-17)26-22(32)27-21/h16-17,21H,1-15,23H2,(H,24,29)(H,25,30)(H,28,31)(H2,26,27,32)/t16-,17-,21-/m0/s1
InChIKeyLOIYZIMLLRKKNS-FIKGOQFSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Biotin-xx hydrazide (CHEBI:184031) is a biotins (CHEBI:51570)
IUPAC Name 
6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-(6-hydrazinyl-6-oxohexyl)hexanamide
Manual XrefsDatabases
21396073ChemSpider