CHEBI:75166 - 5'-d[CGAGCTGCCTTCAGTCG]-3'

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ChEBI Name 5'-d[CGAGCTGCCTTCAGTCG]-3'
ChEBI ID CHEBI:75166
Definition A single-stranded DNA oligonucleotide comprised of two deoxyadenosine, six deoxycytidine, four thymidine and five deoxyguanidine residues connected by 3'→5' phosphodiester linkages in the sequence d[CGAGCTGCCTTCAGTCG]. It can exist as a hairpin structure in several different conformations.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C164H209N61O102P16
Net Charge 0
Average Mass 5162.34200
Monoisotopic Mass 5159.88443
InChI InChI=1S/C164H209N61O102P16/c1-64-34-215(161(243)205-141(64)228)115-24-75(318-335(261,262)283-42-89-74(23-114(299-89)214-16-10-107(170)194-160(214)242)317-333(257,258)290-49-96-79(28-119(306-96)219-57-182-125-132(171)178-55-180-134(125)219)322-341(273,274)294-54-101-84(33-124(311-101)225-63-188-131-140(225)199-154(177)204-149(131)236)326-340(271,272)289-48-95-76(25-116(305-95)216-35-65(2)142(229)206-162(216)244)319-334(259,260)282-40-87-70(19-110(297-87)210-12-6-103(166)190-156(210)238)313-328(247,248)279-39-86-68(227)17-108(296-86)221-59-184-127-136(221)195-150(173)200-145(127)232)94(304-115)47-288-336(263,264)320-77-26-117(217-36-66(3)143(230)207-163(217)245)302-92(77)45-286-331(253,254)315-72-21-112(212-14-8-105(168)192-158(212)240)298-88(72)41-281-330(251,252)314-71-20-111(211-13-7-104(167)191-157(211)239)300-90(71)43-284-338(267,268)324-82-31-122(223-61-186-129-138(223)197-152(175)202-147(129)234)309-99(82)52-292-337(265,266)321-78-27-118(218-37-67(4)144(231)208-164(218)246)303-93(78)46-287-332(255,256)316-73-22-113(213-15-9-106(169)193-159(213)241)301-91(73)44-285-339(269,270)325-83-32-123(224-62-187-130-139(224)198-153(176)203-148(130)235)310-100(83)53-293-342(275,276)323-80-29-120(220-58-183-126-133(172)179-56-181-135(126)220)307-97(80)50-291-343(277,278)327-81-30-121(222-60-185-128-137(222)196-151(174)201-146(128)233)308-98(81)51-280-329(249,250)312-69-18-109(295-85(69)38-226)209-11-5-102(165)189-155(209)237/h5-16,34-37,55-63,68-101,108-124,226-227H,17-33,38-54H2,1-4H3,(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H2,165,189,237)(H2,166,190,238)(H2,167,191,239)(H2,168,192,240)(H2,169,193,241)(H2,170,194,242)(H2,171,178,180)(H2,172,179,181)(H,205,228,243)(H,206,229,244)(H,207,230,245)(H,208,231,246)(H3,173,195,200,232)(H3,174,196,201,233)(H3,175,197,202,234)(H3,176,198,203,235)(H3,177,199,204,236)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+/m0/s1
InChIKey PRADPAIMCYJCLO-WJEGNSKHSA-N
SMILES Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)[nH]c1=O
ChEBI Ontology
Outgoing 5'-d[CGAGCTGCCTTCAGTCG]-3' (CHEBI:75166) is a single-stranded DNA oligonucleotide (CHEBI:75153)
Synonym Source
5'-CpGpApGpCpTpGpCpCpTpTpCpApGpTpCpG-3' ChEBI
Citations Waiting for Citations Types Sources
12680766 PubMed citation Europe PMC
18028946 PubMed citation Europe PMC
Last Modified
20 November 2013