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CHEBI:78610 - 5'-d[GCGTGAT(6-4)TATGGAC]-3'

ChEBI IDCHEBI:78610
ChEBI Name5'-d[GCGTGAT(6-4)TATGGAC]-3'
Stars
DefinitionA single-strand DNA oligonucleotide comprised of three deoxyadenosine, two deoxycytidine, four thymidine and eight deoxyguanidine residues connected by 3'→5' phosphodiester linkages in the sequence G-C-G-T-G-A-T-T-A-T-G-G-A-C, with a (6-4) lesion at the central two thymidine residues.
Last Modified22 May 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC138H173N54O83P13
Net Charge0
Average Mass4318.859
Monoisotopic Mass4316.75654
SMILES[H][C@@]12c3nc(=O)n(cc3C)[C@H]3C[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)C[C@@H]4OP(=O)(O)OC[C@H]4O[C@@H](n5cc(C)c(=O)nc5=O)C[C@@H]4OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)nc(N)nc65)C[C@@H]4OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)nc(N)nc65)C[C@@H]4OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)C[C@@H]4OP(=O)(O)OC[C@H]4O[C@@H](n5ccc(N)nc5=O)C[C@@H]4O)[C@@H](COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(=O)nc(N)nc65)O[C@@H]4COP(=O)(O)O[C@H]4C[C@H](n5cc(C)c(=O)nc5=O)O[C@@H]4COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(=O)nc(N)nc65)O[C@@H]4COP(=O)(O)O[C@H]4C[C@H](n5ccc(N)nc5=O)O[C@@H]4COP(=O)(O)O[C@H]4C[C@H](n5cnc6c(=O)nc(N)nc65)O[C@@H]4CO)N1C(=O)NC(=O)[C@]2(C)O)O3
InChIInChI=1S/C138H173N54O83P13/c1-51-23-181-86-12-57(265-279(216,217)241-33-75-61(16-90(256-75)185-44-156-100-109(142)150-41-153-112(100)185)269-282(222,223)238-30-72-58(13-87(253-72)182-24-52(2)119(195)176-135(182)206)266-280(218,219)246-37-79-65(20-95(260-79)190-49-161-105-117(190)169-130(147)174-124(105)200)274-286(230,231)247-38-80-66(21-96(261-80)191-50-162-106-118(191)170-131(148)175-125(106)201)273-284(226,227)242-32-74-60(15-89(255-74)184-43-155-99-108(141)149-40-152-111(99)184)268-276(210,211)236-27-69-54(194)9-84(250-69)179-7-5-82(139)163-132(179)203)71(252-86)29-240-288(234,235)275-67-22-97(192-107(98(51)165-134(181)205)138(4,209)126(202)178-137(192)208)262-81(67)39-248-287(232,233)270-62-17-91(186-45-157-101-110(143)151-42-154-113(101)186)257-76(62)34-243-285(228,229)272-64-19-94(189-48-160-104-116(189)168-129(146)173-123(104)199)259-78(64)36-245-281(220,221)267-59-14-88(183-25-53(3)120(196)177-136(183)207)254-73(59)31-239-283(224,225)271-63-18-93(188-47-159-103-115(188)167-128(145)172-122(103)198)258-77(63)35-244-278(214,215)264-56-11-85(180-8-6-83(140)164-133(180)204)251-70(56)28-237-277(212,213)263-55-10-92(249-68(55)26-193)187-46-158-102-114(187)166-127(144)171-121(102)197/h5-8,23-25,40-50,54-81,84-97,107,193-194,209H,9-22,26-39H2,1-4H3,(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)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H2,139,163,203)(H2,140,164,204)(H2,141,149,152)(H2,142,150,153)(H2,143,151,154)(H,176,195,206)(H,177,196,207)(H,178,202,208)(H3,144,166,171,197)(H3,145,167,172,198)(H3,146,168,173,199)(H3,147,169,174,200)(H3,148,170,175,201)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,107-,138+/m0/s1
InChIKeyMYPCZZFSDSHPBC-AKJQTPOCSA-N
ChEBI Ontology
Outgoing Relation(s)
5'-d[GCGTGAT(6-4)TATGGAC]-3' (CHEBI:78610) is a single-stranded DNA oligonucleotide (CHEBI:75153)
Synonyms  Source
5'-GCGTGAT(6-4)TATGGAC-3'ChEBI
DNA (5'-D(*GP*CP*GP*TP*GP*AP*(64T)P*(5PY)P*AP*TP*GP*GP*AP*CP)-3')ChEBI
Citations