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CHEBI:76354 - 5'-CGCUUIGCm1IUGCGp-3'

ChEBI IDCHEBI:76354
ChEBI Name5'-CGCUUIGCm1IUGCGp-3'
Stars
ASCII Name5'-CGCUUIGCm(1)IUGCGp-3'
DefinitionA tRNA oligonucleotide comprised of one inosine, one 1-methylated inosine, four cytidine, four guanosine and three uridine residues connected by 3'→5' phosphodiester linkages in the sequence C-G-C-U-U-I-G-C-m1I-U-G-C-G and with a phosphoric residue at the 3'-terminus. It can exist in a hairpin structure, with hydrogen bonding linking the three complementary base pairs at each terminus.
Last Modified21 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC124H155N46O95P13
Net Charge0
Average Mass4212.493
Monoisotopic Mass4210.53007
SMILESCn1cnc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)nc(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)nc(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)nc4=O)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)nc54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)nc54)[C@H](O)[C@@H]3OP(=O)(O)O)[C@H]2O)c1=O
InChIInChI=1S/C124H155N46O95P13/c1-157-30-141-90-62(100(157)193)140-36-166(90)109-72(184)85(262-274(218,219)235-23-44-83(70(182)107(246-44)164-15-8-56(174)148-124(164)200)260-273(216,217)238-27-48-87(74(186)112(251-48)169-34-138-60-93(169)151-116(131)155-98(60)191)264-276(222,223)232-18-39-78(65(177)102(241-39)159-10-3-51(126)143-119(159)195)255-268(206,207)228-17-38-77(253-266(201,202)203)64(176)110(247-38)167-32-136-58-91(167)149-114(129)153-96(58)189)46(249-109)25-237-271(212,213)257-80-41(243-104(67(80)179)161-12-5-53(128)145-121(161)197)20-234-277(224,225)265-88-49(252-113(75(88)187)170-35-139-61-94(170)152-117(132)156-99(61)192)28-239-278(226,227)261-84-45(248-108(71(84)183)165-31-135-57-89(165)133-29-134-95(57)188)24-236-272(214,215)259-82-43(245-106(69(82)181)163-14-7-55(173)147-123(163)199)22-231-270(210,211)258-81-42(244-105(68(81)180)162-13-6-54(172)146-122(162)198)21-230-269(208,209)256-79-40(242-103(66(79)178)160-11-4-52(127)144-120(160)196)19-233-275(220,221)263-86-47(250-111(73(86)185)168-33-137-59-92(168)150-115(130)154-97(59)190)26-229-267(204,205)254-76-37(16-171)240-101(63(76)175)158-9-2-50(125)142-118(158)194/h2-15,29-49,63-88,101-113,171,175-187H,16-28H2,1H3,(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H2,125,142,194)(H2,126,143,195)(H2,127,144,196)(H2,128,145,197)(H,133,134,188)(H,146,172,198)(H,147,173,199)(H,148,174,200)(H2,201,202,203)(H3,129,149,153,189)(H3,130,150,154,190)(H3,131,151,155,191)(H3,132,152,156,192)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-/m1/s1
InChIKeyUHXLGXNKCDXGEN-AHZNMUDLSA-N
ChEBI Ontology
Outgoing Relation(s)
5'-CGCUUIGCm1IUGCGp-3' (CHEBI:76354) is a tRNA oligonucleotide (CHEBI:76338)
IUPAC Name 
C-G-C-U-U-I-G-C-m1I-U-G-C-Gp
Synonyms  Source
CpGpCpUpUpIpGpCpm1IpUpGpCpGpChEBI
CGCUUIGCm1IUGCGpChEBI
Citations