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CHEBI:44074 - molybdopterin

ChEBI IDCHEBI:44074
ChEBI Namemolybdopterin
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:6969, CHEBI:44067
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H14N5O6PS2
Net Charge0
Average Mass395.359
Monoisotopic Mass395.01231
SMILES[H][C@@]12Nc3c(nc(N)nc3=O)N[C@]1([H])O[C@H](COP(=O)(O)O)C(S)=C2S
InChIInChI=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
InChIKeyHPEUEJRPDGMIMY-IFQPEPLCSA-N
ChEBI Ontology
Outgoing Relation(s)
molybdopterin (CHEBI:44074) is a molybdopterins (CHEBI:35203)
molybdopterin (CHEBI:44074) is conjugate acid of molybdopterin(3−) (CHEBI:58698)
Incoming Relation(s)
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  Source
MolybdopterinKEGG COMPOUND
H2Dtpp-mPChEBI
H2Dtpp-mPKEGG COMPOUND
PyranopterinKEGG COMPOUND
Manual XrefsDatabases
C05924KEGG COMPOUND
MTEPDBeChem
CPD-4MetaCyc