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adenosine thiamine triphosphate

MNXM8249 is deprecated and here replaced by MNXM737217
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737217 Image of MNXM737217
referencechebi:71393
formulaC22H28N9O13P3S
global charge-2
mol weight751.505
InChIKeyFGOYXNBJKMNPDH-SAJUPQAESA-L
InChIInChI=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
SMILESCC1=NC=C(C[N+]2=CSC(CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)=C2C)C(N)=N1
MNX internals
InChI (mnx)InChI=1/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)/t14-,17-,18-,22-/m1/s1 Image of MNXM737217
SMILES (mnx)[CH3:1][C:11]1=[C:15]([CH2:3][CH2:4][O:40][P:45](=[O:34])([OH:35])[O:43][P:47](=[O:38])([O-:39])[O:44][P:46]([OH:36])(=[O:37])[O:41][CH2:7][C@@H:14]2[C@@H:17]([OH:32])[C@@H:18]([OH:33])[C@H:22]([N:31]3[CH:9]=[N:28][C:16]4=[C:20]([NH2:24])[N:26]=[CH:8][N:27]=[C:21]43)[O:42]2)[S:48][CH:10]=[N+:30]1[CH2:6][C:13]1=[CH:5][N:25]=[C:12]([CH3:2])[NH:29][C:19]1=[NH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71393
chebi:71393
FGOYXNBJKMNPDH-SAJUPQAESA-L 		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
FGOYXNBJKMNPDH-SAJUPQAESA-L 		AThTP
adenosine thiamine triphosphate

CHEBI:71394
chebi:71394
FGOYXNBJKMNPDH-SAJUPQAESA-O 		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
FGOYXNBJKMNPDH-SAJUPQAESA-L 		adenosine thiamine triphosphate
AThTP

seedM:M_cpd25974 		secondary/obsolete/fantasy identifier