5d06dbe39033d72f…

Compound
ID: 171548440 bytesFirst seen Jun 12, 20261 collection

Fields

NameValue
cid171548
exactMass244.08816355
hBondAcceptors4
hBondDonors3
inchiKeyYBJHBAHKTGYVGT-ZKWXMUAHSA-N
iupacName5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
molecularFormulaC10H16N2O3S
molecularWeight244.31
namebiotin
pubchemUrlhttps://pubchem.ncbi.nlm.nih.gov/compound/171548
rotatableBonds5
smilesnull
xLogP0.3

Canonical JSON

{
  "id": "171548",
  "type": "Compound",
  "data": {
    "cid": 171548,
    "exactMass": 244.08816355,
    "hBondAcceptors": 4,
    "hBondDonors": 3,
    "inchiKey": "YBJHBAHKTGYVGT-ZKWXMUAHSA-N",
    "iupacName": "5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid",
    "molecularFormula": "C10H16N2O3S",
    "molecularWeight": 244.31,
    "name": "biotin",
    "pubchemUrl": "https://pubchem.ncbi.nlm.nih.gov/compound/171548",
    "rotatableBonds": 5,
    "smiles": null,
    "xLogP": 0.3
  }
}

Appears in 1 collection

nih/pubchem-compounds1 version · Jun 12, 2026

Full hash:5d06dbe39033d72fcd398de6e9e2bacd23d819a3fb358e475596939b691d9d31