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Substance Name: DNA Helix
ID: S900006530
InChIKey: HGQVVOWPQULJHE-CUUDQRESSA-N

Note

  • DNA: A deoxyribonucleotide polymer that is the primary genetic material of all cells. Eukaryotic and prokaryotic organisms normally contain DNA in a double-stranded state, yet several important biological processes transiently involve single-stranded regions. DNA, which consists of a polysugar-phosphate backbone possessing projections of purines (adenine and guanine) and pyrimidines (thymine and cytosine), forms a double helix that is held together by hydrogen bonds between these purines and pyrimidines (adenine to thymine and guanine to cytosine).

    The 2D and 3D structures in this record show a small example of the helical structure of DNA. They are taken from the DNA website at the University of Bristol School of Chemistry.

Molecular Weight

  • 6184.0446
 
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Names and Synonyms

Name of Substance

  • DNA Helix

Synonyms

  • Deoxyribonucleic acid
  • DNA
  • DNA Helix 3D

Registry Number

  • S900006530

Structure Descriptors

InChI

InChI=1S/C99H128N30O65P10.C98H123N43O55P10/c1-39-19-121(94(140)114-83(39)131)66-9-45(130)55(176-66)26-167-196(148,149)192-53-17-74(128-37-107-77-81(128)110-91(102)112-89(77)137)184-63(53)33-174-202(160,161)191-51-15-72(126-24-44(6)88(136)119-99(126)145)181-60(51)30-171-200(156,157)189-49-13-70(124-22-42(4)86(134)117-97(124)143)179-58(49)28-169-198(152,153)187-47-10-67(120-8-7-65(100)109-93(120)139)178-57(47)27-168-199(154,155)188-48-12-69(123-21-41(3)85(133)116-96(123)142)180-59(48)29-170-201(158,159)190-50-14-71(125-23-43(5)87(135)118-98(125)144)182-61(50)31-172-203(162,163)194-54-18-75(129-38-108-78-82(129)111-92(103)113-90(78)138)185-64(54)34-175-204(164,165)193-52-16-73(127-36-106-76-79(101)104-35-105-80(76)127)183-62(52)32-173-197(150,151)186-46-11-68(177-56(46)25-166-195(146)147)122-20-40(2)84(132)115-95(122)141;1-40-16-134(98(147)131-93(40)143)66-9-45(191-198(150,151)169-18-51-41(142)6-63(178-51)135-33-120-73-80(101)108-27-114-86(73)135)55(182-66)21-172-200(154,155)189-44-8-65(133-5-3-62(100)128-97(133)146)181-54(44)20-171-202(158,159)192-46-11-68(137-35-122-75-82(103)110-29-116-88(75)137)184-57(46)23-174-204(162,163)194-48-13-70(139-37-124-77-84(105)112-31-118-90(77)139)186-59(48)25-176-206(166,167)196-50-15-72(141-39-126-79-92(141)129-95(107)130-94(79)144)187-60(50)26-177-205(164,165)195-49-14-71(140-38-125-78-85(106)113-32-119-91(78)140)185-58(49)24-175-203(160,161)193-47-12-69(138-36-123-76-83(104)111-30-117-89(76)138)183-56(47)22-173-201(156,157)190-43-7-64(132-4-2-61(99)127-96(132)145)180-53(43)19-170-199(152,153)188-42-10-67(179-52(42)17-168-197(148)149)136-34-121-74-81(102)109-28-115-87(74)136/h7-8,19-24,35-38,45-64,66-75,130,146-147H,9-18,25-34H2,1-6H3,(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H2,100,109,139)(H2,101,104,105)(H,114,131,140)(H,115,132,141)(H,116,133,142)(H,117,134,143)(H,118,135,144)(H,119,136,145)(H3,102,110,112,137)(H3,103,111,113,138);2-5,16,27-39,41-60,63-72,142,148-149H,6-15,17-26H2,1H3,(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H2,99,127,145)(H2,100,128,146)(H2,101,108,114)(H2,102,109,115)(H2,103,110,116)(H2,104,111,117)(H2,105,112,118)(H2,106,113,119)(H,131,143,147)(H3,107,129,130,144)/q-2;-1/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+;41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+/m00/s1

InChIKey

HGQVVOWPQULJHE-CUUDQRESSA-N

Smiles

CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]%10C[C@@H](O[C@@H]%10COP(=O)(O)O[C@H]%11C[C@@H](O[C@@H]%11COP(O)O)N%12C=C(C)C(=O)NC%12=O)n%13cnc%14c(N)ncnc%13%14)n%15cnc%16C(=O)N[C-](=Nc%15%16)N)N%17C=C(C)C(=O)NC%17=O)N%18C=C(C)C(=O)NC%18=O)N%19C=CC(=NC%19=O)N)N%20C=C(C)C(=O)NC%20=O)N%21C=C(C)C(=O)NC%21=O)n%22cnc%23C(=O)N[C-](=Nc%22%23)N)O2)C(=O)NC1=O.CC%24=CN([C@H]%25C[C@H](OP(=O)(O)OC[C@H]%26O[C@H](C[C@@H]%26O)n%27cnc%28c(N)ncnc%27%28)[C@@H](COP(=O)(O)O[C@H]%29C[C@@H](O[C@@H]%29COP(=O)(O)O[C@H]%30C[C@@H](O[C@@H]%30COP(=O)(O)O[C@H]%31C[C@@H](O[C@@H]%31COP(=O)(O)O[C@H]%32C[C@@H](O[C@@H]%32COP(=O)(O)O[C@H]%33C[C@@H](O[C@@H]%33COP(=O)(O)O[C@H]%34C[C@@H](O[C@@H]%34COP(=O)(O)O[C@H]%35C[C@@H](O[C@@H]%35COP(=O)(O)O[C@H]%36C[C@@H](O[C@@H]%36COP(O)O)n%37cnc%38c(N)ncnc%37%38)N%39C=CC(=NC%39=O)N)n%40cnc%41c(N)ncnc%40%41)n%42cnc%43c(N)ncnc%42%43)n%44cnc%45C(=O)N[C-](=Nc%44%45)N)n%46cnc%47c(N)ncnc%46%47)n%48cnc%49c(N)ncnc%48%49)N%50C=CC(=NC%50=O)N)O%25)C(=O)NC%24=O