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adenylyl-molybdopterin

MNXM3054 is deprecated and here replaced by MNXM1369016
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369016 Image of MNXM1369016
referencechebi:62727
formulaC20H23N10O12P2S2
global charge-3
mol weight721.544
InChIKeyXJXFAXLUOKQPAQ-YPRLVJTJSA-K
InChIInChI=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
SMILESNC1=NC2=C(N[C@H]3C(S)=C([S-])[C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4O[C@@H](N5C=NC6=C5N=CN=C6N)[C@H](O)[C@@H]4O)O[C@H]3N2)C(=O)N1
MNX internals
InChI (mnx)InChI=1/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)/t5-,6-,7+,10-,11-,18-,19-/m1/s1 Image of MNXM1369016
SMILES (mnx)[CH2:1]([C@@H:5]1[C@@H:10]([OH:31])[C@@H:11]([OH:32])[C@H:19]([N:30]2[CH:4]=[N:25][C:8]3=[C:14]([NH2:21])[N:23]=[CH:3][N:24]=[C:16]32)[O:41]1)[O:38][P:43]([OH:34])(=[O:35])[O:42][P:44]([OH:36])(=[O:37])[O:39][CH2:2][C@@H:6]1[C:12]([SH:45])=[C:13]([SH:46])[C@H:7]2[C@H:18]([NH:27][C:15]3=[C:9]([C:17]([OH:33])=[N:29][C:20](=[NH:22])[NH:28]3)[NH:26]2)[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62727
chebi:62727
XJXFAXLUOKQPAQ-YPRLVJTJSA-K 		adenylyl-molybdopterin
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
MPT-AMP(3-)
adenylated molybdopterin(3-)
adenylyl-molybdopterin(3-)
molybdopterin adenine dinucleotide(3-)

bigg.metabolite:mptamp
biggM:mptamp 		Adenylated molybdopterin

kegg.compound:C19848
keggC:C19848
XJXFAXLUOKQPAQ-YPRLVJTJSA-N 		Adenylated molybdopterin
Adenylyl-molybdopterin
hmdb:HMDB0059628
XJXFAXLUOKQPAQ-YPRLVJTJSA-N 		Adenylyl-molybdopterin
Adenylated molybdopterin
H2Dtpp-mADP
MPT-AMP
Molybdopterin adenine dinucleotide
Molybdopterin-AMP
mpt-amp
{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3H,4H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl]methoxy}[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid

vmhM:M01281
vmhmetabolite:M01281
XJXFAXLUOKQPAQ-YPRLVJTJSA-N 		Adenylyl-molybdopterin
{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3H,4H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl]methoxy}[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(h

CHEBI:62728
chebi:62728
XJXFAXLUOKQPAQ-YPRLVJTJSA-N 		molybdopterin adenine dinucleotide
5'-O-[{[{[(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]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
MPT-AMP
adenylated molybdopterin
adenylyl-molybdopterin

metacyc.compound:CPD-8122
metacycM:CPD-8122
XJXFAXLUOKQPAQ-YPRLVJTJSA-K 		molybdopterin adenine dinucleotide
H2Dtpp-mADP
adenylated molybdopterin
adenylyl-molybdopterin
molybdopterin-AMP

hmdb:HMDB59628
biggM:M_mptamp
keggC:M_C19848
vmhM:M_M01281 		secondary/obsolete/fantasy identifier