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dTT(6-4)TT

PropertiesImage
MNX_IDMNXM155605 Image of MNXM155605
referencechebi:74749
formulaC40H54N8O29P4
global charge0
mol weight1234.795
InChIKeyWNMQBANWTUTSKF-RIDDKKTKSA-N
InChIInChI=1S/C40H54N8O29P4/c1-16-9-45-28-7-21(76-79(61,62)68-12-23-19(49)5-27(71-23)46-10-17(2)33(50)42-37(46)54)25(73-28)14-69-81(65,66)77-22-8-30(48-32(31(16)41-36(45)53)40(4,57)35(52)44-39(48)56)74-26(22)15-70-80(63,64)75-20-6-29(72-24(20)13-67-78(58,59)60)47-11-18(3)34(51)43-38(47)55/h9-11,19-30,32,49,57H,5-8,12-15H2,1-4H3,(H,61,62)(H,63,64)(H,65,66)(H,42,50,54)(H,43,51,55)(H,44,52,56)(H2,58,59,60)/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,32-,40+/m0/s1
SMILESCC1=CN([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H]4C[C@@H]3OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N5C=C(C)C(=O)NC5=O)C[C@@H]3O)N3C=C(C)C(=NC3=O)[C@@H]3N4C(=O)NC(=O)[C@]3(C)O)[C@@H](COP(=O)(O)O)O2)C(=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C40H54N8O29P4/c1-16-9-45-28-7-21(76-79(61,62)68-12-23-19(49)5-27(71-23)46-10-17(2)33(50)42-37(46)54)25(73-28)14-69-81(65,66)77-22-8-30(48-32(31(16)41-36(45)53)40(4,57)35(52)44-39(48)56)74-26(22)15-70-80(63,64)75-20-6-29(72-24(20)13-67-78(58,59)60)47-11-18(3)34(51)43-38(47)55/h9-11,19-30,32,49,57H,5-8,12-15H2,1-4H3,(H,61,62)(H,63,64)(H,65,66)(H,42,50,54)(H,43,51,55)(H,44,52,56)(H2,58,59,60)/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,32-,40+/m0/s1 Image of MNXM155605
SMILES (mnx)[CH3:1][C:16]1=[CH:9][N:45]2[C@H:28]3[CH2:7][C@H:21]([O:76][P:79]([OH:61])(=[O:62])[O:68][CH2:12][C@@H:23]4[C@@H:19]([OH:49])[CH2:5][C@H:27]([N:46]5[CH:10]=[C:17]([CH3:2])[C:33]([OH:50])=[N:42][C:37]5=[O:54])[O:71]4)[C@@H:25]([CH2:14][O:69][P:81]([OH:65])(=[O:66])[O:77][C@H:22]4[CH2:8][C@H:30]([N:48]5[C@@H:32]([C:31]1=[N:41][C:36]2=[O:53])[C@@:40]([CH3:4])([OH:57])[C:35]([OH:52])=[N:44][C:39]5=[O:56])[O:74][C@@H:26]4[CH2:15][O:70][P:80]([OH:63])(=[O:64])[O:75][C@H:20]1[CH2:6][C@H:29]([N:47]2[CH:11]=[C:18]([CH3:3])[C:34]([OH:51])=[N:43][C:38]2=[O:55])[O:72][C@@H:24]1[CH2:13][O:67][P:78]([OH:58])([OH:59])=[O:60])[O:73]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74749
chebi:74749
WNMQBANWTUTSKF-RIDDKKTKSA-N 		dTT(6-4)TT
[(2R,3S,5R)-3-{[({(2R,4S,5R,10S,11R,13R,18R,19S)-8,18-dihydroxy-4-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl)oxy]-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1(2,5).1(10,13).0(14,19)]hexacosa-20,23-dien-11-yl}methoxy)(hydroxy)phosphoryl]oxy}-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate