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adenosine 5'-phosphosulfate

MNXM287 is deprecated and here replaced by MNXM1103086
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103086 Image of MNXM1103086
referencechebi:58243
formulaC10H12N5O10PS
global charge-2
mol weight425.272
InChIKeyIRLPACMLTUPBCL-KQYNXXCUSA-L
InChIInChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/p-2/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](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1 Image of MNXM1103086
SMILES (mnx)[CH2:1]([C@@H:4]1[C@@H:6]([OH:16])[C@@H:7]([OH:17])[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:24]1)[O:23][P:26]([OH:18])(=[O:19])[O:25][S:27]([OH:20])(=[O:21])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)31
in models (compartimentalized) 20
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-174370
reactomeM:R-ALL-174370
CHEBI:58243
chebi:58243
IRLPACMLTUPBCL-KQYNXXCUSA-L 		adenosine 5'-phosphosulfate
5'-O-[(sulfonatooxy)phosphinato]adenosine
5'-adenylyl sulfate dianion
5'-adenylyl sulfate(2-)

CHEBI:17709
chebi:17709
IRLPACMLTUPBCL-KQYNXXCUSA-N 		5'-adenylyl sulfate
5'-Adenylyl sulfate
5'-adenylyl hydrogen sulfate
ADENOSINE-5'-PHOSPHOSULFATE
APS
Adenosine 5'-phosphosulfate
Adenylylsulfate
adenosine phosphosulfate

vmhM:aps
vmhmetabolite:aps
IRLPACMLTUPBCL-KQYNXXCUSA-L 		5-adenylyl sulfate(2-)
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid

seed.compound:cpd00193
seedM:cpd00193
IRLPACMLTUPBCL-KQYNXXCUSA-L 		APS
5'-Adenylyl sulfate
Adenosine 5'-phosphosulfate
Adenosine5-phosphosulfate
Adenylyl sulfate
adenosine 5'-phosphosulfate
adenosine 5'-sulphatophosphate
adenosine phosphosulfate
adenylyl-sulfate
adenylylsulfate
aps

bigg.metabolite:aps
biggM:aps
IRLPACMLTUPBCL-KQYNXXCUSA-L 		Adenosine 5'-phosphosulfate
hmdb:HMDB0001003
IRLPACMLTUPBCL-KQYNXXCUSA-N 		Adenosine phosphosulfate
5'-Adenylyl sulfate
5'-Adenylyl sulfuric acid
5'-Adenylyl sulphate
5'-Adenylyl sulphuric acid
5'-Phosphosulfate, adenosine
ADENOSINE-5'-phosphosulfATE
ADENOSINE-5'-phosphosulfuric acid
ADENOSINE-5'-phosphosulphate
ADENOSINE-5'-phosphosulphuric acid
AMPS
APS
Adenosine 5' phosphosulfate
Adenosine 5'-monophosphosulfate
Adenosine 5'-monophosphosulphate
Adenosine 5'-phosphosulfate
Adenosine 5'-phosphosulfuric acid
Adenosine 5'-phosphosulphate
Adenosine 5'-phosphosulphuric acid
Adenosine 5'-sulfatophosphate
Adenosine 5'-sulphatophosphate
Adenosine phosphosulfuric acid
Adenosine phosphosulphate
Adenosine phosphosulphuric acid
Adenosine sulfatophosphate
Adenylic acid monoanhydride with sulfurate
Adenylic acid monoanhydride with sulfuric acid
Adenylyl sulfate
Adenylyl sulphate
Adenylyl-sulfate
Adenylyl-sulphate
Adenylylsulfate
Adenylylsulfuric acid
Adenylylsulphate
Adenylylsulphuric acid
Phospho adenylsulfate
Phospho-adenylsulfate
Phosphosulfate
Phosphosulfate, adenosine
Phosphosulphate
Sulfate, adenylyl
Sulfatophosphate
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid
adenosine phosphosulfate

sabiork.compound:30223
sabiorkM:30223
IRLPACMLTUPBCL-KQYNXXCUSA-N 		Adenylyl sulfate

kegg.compound:C00224
keggC:C00224
IRLPACMLTUPBCL-KQYNXXCUSA-N 		Adenylyl sulfate
5'-Adenylyl sulfate
APS
Adenosine 5'-phosphosulfate

sabiork.compound:1803
sabiorkM:1803
IRLPACMLTUPBCL-KQYNXXCUSA-N 		Adenylylsulfate
APS
Adenosine 5'-phosphosulfate

metacyc.compound:APS
metacycM:APS
IRLPACMLTUPBCL-KQYNXXCUSA-L 		adenosine 5'-phosphosulfate
APS
adenosine 5'-sulphatophosphate
adenosine phosphosulfate
adenylyl-sulfate

hmdb:HMDB01003
chebi:12059
chebi:13741
chebi:13743
chebi:22247
chebi:2486
chebi:40562
biggM:M_aps
keggC:M_C00224
seedM:M_cpd00193
vmhM:M_aps 		secondary/obsolete/fantasy identifier