CHEBI:62727 - molybdopterin adenine dinucleotide(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name molybdopterin adenine dinucleotide(3−)
ChEBI ID CHEBI:62727
ChEBI ASCII Name molybdopterin adenine dinucleotide(3-)
Definition An organophosphate oxoanion that is molybdopterin adenine dinucleotide protonated to pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H23N10O12P2S2
Net Charge -3
Average Mass 721.53400
Monoisotopic Mass 721.041
InChI InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/p-3/t5-,6-,7+,10-,11-,18-,19-/m1/s1
InChIKey XJXFAXLUOKQPAQ-YPRLVJTJSA-K
SMILES [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C([S-])[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)O2
ChEBI Ontology
Outgoing molybdopterin adenine dinucleotide(3−) (CHEBI:62727) is a organophosphate oxoanion (CHEBI:58945)
molybdopterin adenine dinucleotide(3−) (CHEBI:62727) is conjugate base of molybdopterin adenine dinucleotide (CHEBI:62728)
Incoming molybdopterin adenine dinucleotide (CHEBI:62728) is conjugate acid of molybdopterin adenine dinucleotide(3−) (CHEBI:62727)
IUPAC Name
5'-O-{[({[(5aR,8R,9aR)-2-amino-4-oxo-6-sulfanyl-7-sulfido-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphinato)oxy]phosphinato}adenosine
Synonyms Sources
adenylated molybdopterin(3−) ChEBI
adenylyl-molybdopterin UniProt
adenylyl-molybdopterin(3−) ChEBI
MPT-AMP(3−) ChEBI
Manual Xref Database
CPD-8122 MetaCyc
View more database links
Citations Waiting for Citations Types Sources
15504727 PubMed citation Europe PMC
15632135 PubMed citation Europe PMC
Last Modified
05 December 2012