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CHEBI:78609 - 5'-d[CCGTCCATAATCACTCGC]-3'

ChEBI IDCHEBI:78609
ChEBI Name5'-d[CCGTCCATAATCACTCGC]-3'
Stars
DefinitionA single-strand DNA oligonucleotide comprised of four deoxyadenosine, eight deoxycytidine, four thymidine and two deoxyguanidine residues connected by 3'→5' phosphodiester linkages in the sequence C-C-G-T-C-C-A-T-A-A-T-C-A-C-T-C-G-C.
Last Modified22 May 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC172H221N62O106P17
Net Charge0
Average Mass5379.546
Monoisotopic Mass5376.93482
SMILESCc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)nc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)O2)c(=O)nc1=O
InChIInChI=1S/C172H221N62O106P17/c1-71-39-225(169(251)213-153(71)237)127-29-83(331-349(271,272)294-49-99-82(28-126(312-99)224-20-12-118(180)208-168(224)250)330-347(267,268)304-59-109-91(37-135(322-109)233-69-199-141-151(233)209-159(185)211-157(141)241)335-341(255,256)289-44-94-75(236)21-119(307-94)217-13-5-111(173)201-161(217)243)101(314-127)51-296-344(261,262)326-79-25-123(221-17-9-115(177)205-165(221)247)313-100(79)50-295-353(279,280)336-87-33-131(229-65-195-137-143(181)187-61-191-147(137)229)318-105(87)55-300-346(265,266)329-81-27-125(223-19-11-117(179)207-167(223)249)311-98(81)48-293-351(275,276)332-84-30-128(226-40-72(2)154(238)214-170(226)252)315-102(84)52-297-355(283,284)338-89-35-133(231-67-197-139-145(183)189-63-193-149(139)231)321-108(89)58-303-357(287,288)339-90-36-134(232-68-198-140-146(184)190-64-194-150(140)232)320-107(90)57-302-352(277,278)334-86-32-130(228-42-74(4)156(240)216-172(228)254)316-103(86)53-298-354(281,282)337-88-34-132(230-66-196-138-144(182)188-62-192-148(138)230)319-106(88)56-301-345(263,264)328-80-26-124(222-18-10-116(178)206-166(222)248)309-96(80)46-291-343(259,260)325-78-24-122(220-16-8-114(176)204-164(220)246)310-97(78)47-292-350(273,274)333-85-31-129(227-41-73(3)155(239)215-171(227)253)317-104(85)54-299-356(285,286)340-92-38-136(234-70-200-142-152(234)210-160(186)212-158(142)242)323-110(92)60-305-348(269,270)327-77-23-121(219-15-7-113(175)203-163(219)245)308-95(77)45-290-342(257,258)324-76-22-120(306-93(76)43-235)218-14-6-112(174)202-162(218)244/h5-20,39-42,61-70,75-110,119-136,235-236H,21-38,43-60H2,1-4H3,(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)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H2,173,201,243)(H2,174,202,244)(H2,175,203,245)(H2,176,204,246)(H2,177,205,247)(H2,178,206,248)(H2,179,207,249)(H2,180,208,250)(H2,181,187,191)(H2,182,188,192)(H2,183,189,193)(H2,184,190,194)(H,213,237,251)(H,214,238,252)(H,215,239,253)(H,216,240,254)(H3,185,209,211,241)(H3,186,210,212,242)/t75-,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+,102+,103+,104+,105+,106+,107+,108+,109+,110+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+/m0/s1
InChIKeyNJXNICOIHPHKJU-WGZXCTOISA-N
ChEBI Ontology
Outgoing Relation(s)
5'-d[CCGTCCATAATCACTCGC]-3' (CHEBI:78609) is a single-stranded DNA oligonucleotide (CHEBI:75153)
Synonyms  Source
5'-CCGTCCATAATCACTCGC-3'ChEBI
DNA (5'-D(*CP*CP*GP*TP*CP*CP*AP*TP*AP*AP*TP*CP*AP*CP*TP*CP*GP*C)-3')ChEBI
Citations