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WormBase Tree Display for Molecule: WBMol:00004270

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Name Class

WBMol:00004270Public_nameBiotin
biotin
FormulaC10H16N2O3S
Monoisotopic_mass244.088
IUPAC5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
SMILES[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
InChiInChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChiKeyYBJHBAHKTGYVGT-ZKWXMUAHSA-N
DB_infoDatabaseNLM_MeSHUIDD001710
CTDChemicalIDD001710
ChEBICHEBI_ID15956
ChemIDplusRN58-85-5
KEGG COMPOUNDAccession_numberC00120
StatusDetectedPaper_evidenceWBPaper00044549
Detection_methodLC-MSPaper_evidenceWBPaper00044549
Extraction_method80%MeOHPaper_evidenceWBPaper00044549
Endogenous_inCaenorhabditis elegans
Biofunction_roleMetabolitePaper_evidenceWBPaper00044549
Regulate_expr_clusterWBPaper00037086:biotin_regulated
ReferenceWBPaper00044549