CHEBI:44074 - molybdopterin

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ChEBI Name molybdopterin ChEBI ID CHEBI:44074 Definition A molybdopterin that is the O-phospho derivative of [(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methanol. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:44067, CHEBI:6969 Supplier Information ZINC000328578076 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H14N5O6PS2 Net Charge 0 Average Mass 395.35402 Monoisotopic Mass 395.01231 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/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1 InChIKey HPEUEJRPDGMIMY-IFQPEPLCSA-N SMILES [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(O)=O)O2 ChEBI Ontology Outgoing molybdopterin (CHEBI:44074) is a molybdopterins (CHEBI:35203) molybdopterin (CHEBI:44074) is conjugate acid of molybdopterin(3−) (CHEBI:58698) Incoming molybdopterin(3−) (CHEBI:58698) is conjugate base of molybdopterin (CHEBI:44074) IUPAC Name [(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate Synonyms Sources dtpp COMe H2Dtpp-mP ChEBI H2Dtpp-mP KEGG COMPOUND Molybdopterin KEGG COMPOUND Pyranopterin KEGG COMPOUND Manual Xrefs Databases C05924 KEGG COMPOUND CPD-4 MetaCyc MOL000078 COMe MTE PDBeChem View more database links Last Modified 28 July 2014