CHEBI:82685 - Mo(=O)(=S)-molybdopterin cofactor(2−)

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ChEBI Name Mo(=O)(=S)-molybdopterin cofactor(2−) ChEBI ID CHEBI:82685 ChEBI ASCII Name Mo(=O)(=S)-molybdopterin cofactor(2-) Definition An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Mo(=O)(=S)-molybdopterin cofactor; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H10MoN5O7PS3 Net Charge -2 Average Mass 535.33000 Monoisotopic Mass 536.85450 InChI InChI=1S/C10H14N5O6PS2.Mo.O.S/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;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-4/t2-,3+,9-;;;/m1.../s1 InChIKey QNGJROMMAHOOFQ-JSUDGWJLSA-J SMILES Nc1nc2N[C@@H]3O[C@H](COP([O-])([O-])=O)C4=C(S[Mo](=O)(=S)S4)[C@@H]3Nc2c(=O)[nH]1 ChEBI Ontology Outgoing Mo(=O)(=S)-molybdopterin cofactor(2−) (CHEBI:82685) is a organophosphate oxoanion (CHEBI:58945) Mo(=O)(=S)-molybdopterin cofactor(2−) (CHEBI:82685) is conjugate base of Mo(=O)(=S)-molybdopterin cofactor (CHEBI:83233) Incoming Mo(=O)(=S)-molybdopterin cofactor (CHEBI:83233) is conjugate acid of Mo(=O)(=S)-molybdopterin cofactor(2−) (CHEBI:82685) IUPAC Name {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(4−) phosphate}(oxo)thioxomolybdate(2−) Synonyms Sources moco (sulfide)(2−) MetaCyc molybdenum cofactor (sulfide)(2−) MetaCyc MoOS(OH)Dtpp-mP(2−) MetaCyc thio-Mo-molybdopterin UniProt Manual Xref Database CPD-8124 MetaCyc View more database links Citations Types Sources 15561708 PubMed citation SUBMITTER 18258600 PubMed citation SUBMITTER Last Modified 05 February 2019