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3'-phosphoadenylyl sulfate

PropertiesImage
MNX_IDMNXM1104555 Image of MNXM1104555
referencechebi:58339
formulaC10H11N5O13P2S
global charge-4
mol weight503.235
InChIKeyGACDQMDRPRGCTN-KQYNXXCUSA-J
InChIInChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/p-4/t4-,6-,7-,10-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OS(=O)(=O)[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O
MNX internals
InChI (mnx)InChI=1/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1 Image of MNXM1104555
SMILES (mnx)[CH2:1]([C@@H:4]1[C@@H:7]([O:27][P:29]([OH:17])([OH:18])=[O:19])[C@@H:6]([OH:16])[C@H:10]([N:15]2[CH:3]=[N:14][C:5]3=[C:8]([NH2:11])[N:12]=[CH:2][N:13]=[C:9]32)[O:26]1)[O:25][P:30]([OH:20])(=[O:21])[O:28][S:31]([OH:22])(=[O:23])=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)393
in models (compartimentalized) 177
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-158471
reactomeM:R-ALL-158471
reactome:R-ALL-741440
reactomeM:R-ALL-741440
CHEBI:58339
chebi:58339
GACDQMDRPRGCTN-KQYNXXCUSA-J 		3'-phosphoadenylyl sulfate
3'-O-phosphonato-5'-O-[(sulfonatooxy)phosphinato]adenosine
3'-phosphonato-5'-adenylyl sulfate
3'-phosphonato-5'-adenylyl sulfate tetraanion
3'-phosphonato-5'-adenylyl sulfate(4-)
3'-phosphonatoadenosine 5'-phosphosulfate
3'-phosphonatoadenosine 5'-phosphosulfate tetraanion
3'-phosphonatoadenosine 5'-phosphosulfate(4-)
PAPS
PAPS tetraanion
PAPS(4-)

bigg.metabolite:paps
biggM:paps
GACDQMDRPRGCTN-KQYNXXCUSA-J 		3'-Phosphoadenylyl sulfate

sabiork.compound:1776
sabiorkM:1776
GACDQMDRPRGCTN-KQYNXXCUSA-N 		3'-Phosphoadenylyl sulfate
3'-Phospho-5'-adenylyl sulfate
3'-Phosphoadenosine 5'-phosphosulfate
3'-Phosphoadenylylsulfate
PAPS

kegg.compound:C00053
keggC:C00053
GACDQMDRPRGCTN-KQYNXXCUSA-N 		3'-Phosphoadenylyl sulfate
3'-Phospho-5'-adenylyl sulfate
3'-Phosphoadenosine 5'-phosphosulfate
PAPS

CHEBI:17980
chebi:17980
GACDQMDRPRGCTN-KQYNXXCUSA-N 		3'-phospho-5'-adenylyl sulfate
3'-O-phosphono-5'-adenylyl sulfate
3'-Phospho-5'-adenylyl sulfate
3'-Phosphoadenosine 5'-phosphosulfate
3'-Phosphoadenylyl sulfate
3'-phosphoadenosine 5'-phosphosulfate
PAPS

metacyc.compound:PAPS
metacycM:PAPS
GACDQMDRPRGCTN-KQYNXXCUSA-J 		3'-phosphoadenylyl-sulfate
3'-phospho-5'-adenylyl sulfate
3'-phosphoadenosine-5'-phosphosulfate
3'-phosphoadenylyl sulfate
PAPS
phosphoadenosine phosphosulfate
phosphoadenosine-5'-phosphosulfate
hmdb:HMDB0062646
GACDQMDRPRGCTN-KQYNXXCUSA-N 		3'-phosphonato-5'-adenylyl Sulfate(4-)
3'-Phosphoadenylyl sulfate
3'-Phosphoadenylyl sulfuric acid
3'-Phosphoadenylyl sulphate
3'-Phosphoadenylyl sulphuric acid
3'-Phosphonato-5'-adenylyl sulfate
3'-Phosphonato-5'-adenylyl sulfate tetraanion
3'-Phosphonato-5'-adenylyl sulfuric acid
3'-Phosphonato-5'-adenylyl sulfuric acid tetraanion
3'-Phosphonato-5'-adenylyl sulfuric acid(4-)
3'-Phosphonato-5'-adenylyl sulphate
3'-Phosphonato-5'-adenylyl sulphate tetraanion
3'-Phosphonato-5'-adenylyl sulphate(4-)
3'-Phosphonato-5'-adenylyl sulphuric acid
3'-Phosphonato-5'-adenylyl sulphuric acid tetraanion
3'-Phosphonato-5'-adenylyl sulphuric acid(4-)
3'-Phosphonatoadenosine 5'-phosphosulfate
3'-Phosphonatoadenosine 5'-phosphosulfate tetraanion
3'-Phosphonatoadenosine 5'-phosphosulfate(4-)
3'-Phosphonatoadenosine 5'-phosphosulfuric acid
3'-Phosphonatoadenosine 5'-phosphosulfuric acid tetraanion
3'-Phosphonatoadenosine 5'-phosphosulfuric acid(4-)
3'-Phosphonatoadenosine 5'-phosphosulphate
3'-Phosphonatoadenosine 5'-phosphosulphate tetraanion
3'-Phosphonatoadenosine 5'-phosphosulphate(4-)
3'-Phosphonatoadenosine 5'-phosphosulphuric acid
3'-Phosphonatoadenosine 5'-phosphosulphuric acid tetraanion
3'-Phosphonatoadenosine 5'-phosphosulphuric acid(4-)
Adenosine 3' phosphate 5' phosphosulfate
Adenosine-3'-phosphate-5'-phosphosulfate
PAPS
PAPS tetraanion
PAPS(4-)
Phosphoadenosine phosphosulfate
Phosphosulfate, phosphoadenosine
[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid
{[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxysulfonic acid

seed.compound:cpd00044
seedM:cpd00044
GACDQMDRPRGCTN-KQYNXXCUSA-J 		3-phosphoadenylylsulfate
3'-Phospho-5'-adenylyl sulfate
3'-Phosphoadenosine 5'-phosphosulfate
3'-Phosphoadenylyl sulfate
3'-phospho-5'-adenylyl sulfate
3'-phosphoadenosine-5'-phosphosulfate
3'-phosphoadenylyl sulfate
3'-phosphoadenylyl-sulfate
3-Phosphoadenylylsulfate
3-phospho-adenylylsulfate
3-phosphoadenylyl sulfate
PAPS
paps
phosphoadenosine phosphosulfate
phosphoadenosine-5'-phosphosulfate
hmdb:HMDB0001134
GACDQMDRPRGCTN-KQYNXXCUSA-N 		Phosphoadenosine phosphosulfate
3'-Phospho-5'-adenylyl sulfate
3'-Phospho-5'-adenylyl sulfuric acid
3'-Phospho-5'-adenylyl sulphate
3'-Phospho-5'-adenylyl sulphuric acid
3'-Phosphoadenosine 5'-phosphosulfate
3'-Phosphoadenosine 5'-phosphosulfuric acid
3'-Phosphoadenosine 5'-phosphosulphate
3'-Phosphoadenosine 5'-phosphosulphuric acid
3'-Phosphoadenosine-5'-phosphosulfate
3'-Phosphoadenosine-5'-phosphosulphate
3'-Phosphoadenylyl sulfate
3'-Phosphoadenylyl sulfuric acid
3'-Phosphoadenylyl sulphate
3'-Phosphoadenylyl sulphuric acid
3'-Phosphoadenylyl-sulfate
3'-Phosphoadenylyl-sulphate
3'-phosphoadenylyl sulfate
5'-Adenylyl sulfate 3'-phosphate
5'-Adenylyl sulphate 3'-phosphate
5-Phosphoadenosine 3-phosphosulfate
5-Phosphoadenosine 3-phosphosulphate
Adenosine 3' phosphate 5' phosphosulfate
Adenosine 3'-phosphate 5'-phosphosulfate
Adenosine 3'-phosphate 5'-phosphosulphate
Adenosine 3'-phosphate 5'-sulfatophosphate
Adenosine 5'-phosphosulfate 3'-phosphate
Adenosine 5'-phosphosulphate 3'-phosphate
Adenosine-3'-phosphate-5'-phosphosulfate
PAPS
Phosphoadenosine phosphosulfuric acid
Phosphoadenosine phosphosulphate
Phosphoadenosine phosphosulphuric acid
Phosphosulfate, phosphoadenosine
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid

vmhM:paps
vmhM:paps
vmhmetabolite:paps
vmhmetabolite:paps
GACDQMDRPRGCTN-KQYNXXCUSA-J 		Phosphoadenosine phosphosulfate
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid
hmdb:HMDB0304464
GACDQMDRPRGCTN-KQYNXXCUSA-J 		phosphoadenosine-5'-phosphosulfate
(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[(sulfonatooxy)phosphinato]oxy}methyl)oxolan-3-yl phosphate
3'-Phosphoadenylyl sulfate
3'-Phosphoadenylyl sulfuric acid
3'-Phosphoadenylyl sulphate
3'-Phosphoadenylyl sulphuric acid
3'-Phosphonato-5'-adenylyl sulfate
3'-Phosphonato-5'-adenylyl sulfate tetraanion
3'-Phosphonato-5'-adenylyl sulfuric acid
3'-Phosphonato-5'-adenylyl sulfuric acid tetraanion
3'-Phosphonato-5'-adenylyl sulfuric acid(4-)
3'-Phosphonato-5'-adenylyl sulphate
3'-Phosphonato-5'-adenylyl sulphate tetraanion
3'-Phosphonato-5'-adenylyl sulphate(4-)
3'-Phosphonato-5'-adenylyl sulphuric acid
3'-Phosphonato-5'-adenylyl sulphuric acid tetraanion
3'-Phosphonato-5'-adenylyl sulphuric acid(4-)
3'-Phosphonatoadenosine 5'-phosphosulfate
3'-Phosphonatoadenosine 5'-phosphosulfate tetraanion
3'-Phosphonatoadenosine 5'-phosphosulfate(4-)
3'-Phosphonatoadenosine 5'-phosphosulfuric acid
3'-Phosphonatoadenosine 5'-phosphosulfuric acid tetraanion
3'-Phosphonatoadenosine 5'-phosphosulfuric acid(4-)
3'-Phosphonatoadenosine 5'-phosphosulphate
3'-Phosphonatoadenosine 5'-phosphosulphate tetraanion
3'-Phosphonatoadenosine 5'-phosphosulphate(4-)
3'-Phosphonatoadenosine 5'-phosphosulphuric acid
3'-Phosphonatoadenosine 5'-phosphosulphuric acid tetraanion
3'-Phosphonatoadenosine 5'-phosphosulphuric acid(4-)
Adenosine 3' phosphate 5' phosphosulfate
Adenosine-3'-phosphate-5'-phosphosulfate
PAPS
PAPS tetraanion
PAPS(4-)
Phosphoadenosine phosphosulfate
Phosphoadenosine-5'-phosphosulfuric acid
Phosphoadenosine-5'-phosphosulphate
Phosphoadenosine-5'-phosphosulphuric acid
Phosphosulfate, phosphoadenosine

hmdb:HMDB01134
hmdb:HMDB62646
chebi:11679
chebi:11680
chebi:1353
chebi:19857
biggM:M_paps
keggC:M_C00053
seedM:M_cpd00044
vmhM:M_paps 		secondary/obsolete/fantasy identifier