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adenosine thiamine triphosphate

MNXM8249 is deprecated and here replaced by MNXM737217
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM737217

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₂H₂₈N₉O₁₃P₃S

charge

-2

mass

751.07511

reference

chebi:71393

InChIKey

FGOYXNBJKMNPDH-SAJUPQAESA-L

InChI

InChI=1S/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p-2/t14-,17-,18-,22-/m1/s1

SMILES

Cc1ncc(C[n+]2csc(CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2C)c(N)n1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71393 chebi:71393	adenosine thiamine triphosphate 5'-O-{[({[(2-{3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)phosphinato]oxy}phosphinato)oxy]phosphinato}adenosine ATP-thiamine(2-) AThTP adenosine thiamine triphosphate(2-) thiamine-ATP(2-)
seed.compound:cpd25974 seedM:cpd25974	AThTP adenosine thiamine triphosphate
CHEBI:71394 chebi:71394	adenosine thiamine triphosphate 5'-O-[{[{[(2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine ATP-thiamine AThTP thiamine-ATP
metacyc.compound:CPD0-1095 metacycM:CPD0-1095	adenosine thiamine triphosphate AThTP
seedM:M_cpd25974	secondary/obsolete/fantasy identifier