CHEBI:44074 - molybdopterin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
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Formula C10H14N5O6PS2
Net Charge 0
Average Mass 395.35402
Monoisotopic Mass 395.012
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