CHEBI:89481 - Bisnorbiotin

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ChEBI Name Bisnorbiotin
ChEBI ID CHEBI:89481
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C8H12N2O3S
Net Charge 0
Average Mass 216.259
Monoisotopic Mass 216.05686
InChI InChI=1S/C8H12N2O3S/c11-6(12)2-1-5-7-4(3-14-5)9-8(13)10-7/h4-5,7H,1-3H2,(H,11,12)(H2,9,10,13)/t4-,5-,7-/m0/s1
InChIKey QDFGCLSCEPNVQP-VPLCAKHXSA-N
SMILES S1[C@@H](CCC(O)=O)[C@]2(NC(=O)N[C@]2(C1)[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Bisnorbiotin (CHEBI:89481) is a heterocyclic fatty acid (CHEBI:48847)
Synonyms Sources
3-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]propanoic acid HMDB
[3aS-(3aa,4b,6aa)]-hexahydro-2-oxo-1H-Thieno[3,4-D]imidazole-4-propanoate HMDB
[3aS-(3aa,4b,6aa)]-hexahydro-2-oxo-1H-Thieno[3,4-D]imidazole-4-propanoic acid HMDB
Hexahydro-2-oxo-1H-Thieno[3,4-D]imidazole-4-propionic acid HMDB
Manual Xref Database
HMDB0004821 HMDB
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Registry Number Type Source
16968-98-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
9022537 PubMed citation Europe PMC
9039841 PubMed citation Europe PMC
9042824 PubMed citation Europe PMC