129048 <common-name>Molybdenum cofactor</common-name> <description nil="true"/> <cas>872689-63-9</cas> <pubchem-id nil="true"/> <chemical-formula>C10H14N5O6P1S2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T12:50:40Z</created-at> <updated-at type="dateTime">2026-05-14T17:28:50Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB02137</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>O=[Mo++]=O.NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@H](COP([O-])([O-])=O)C([S-])=C3[S-])C(=O)N1</moldb-smiles> <moldb-formula>C10H14N5O6P1S2</moldb-formula> <moldb-inchi>InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-4,9,12,23-24H,1H2,(H2,17,18,19)(H3,11,13,14,15,16)</moldb-inchi> <moldb-inchikey>QJKDVOHICKCACZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">519.26</moldb-average-mass> <moldb-mono-mass type="decimal">395.0123112</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM124941</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00124687</susdat-id> <iupac>[(5aR,8R,9aR)-2-amino-4-oxo-8-[(phosphonatooxy)methyl]-6-sulfanidyl-3H,4H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-7-yl]sulfanide; dioxomolybdenumbis(ylium)</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>