CID 16197355

Gga ggt ggg tct gaa acg at

Structural Information

Molecular Formula
C198H246N84O120P20
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C198H246N84O120P20/c1-72-29-265(195(299)259-171(72)284)118-9-76(283)96(364-118)33-345-404(306,307)390-83-15-124(269-58-225-138-152(201)215-53-220-157(138)269)371-103(83)40-353-417(332,333)397-90-23-132(277-66-233-146-165(277)244-187(209)253-178(146)291)376-108(90)45-356-406(310,311)385-78-11-120(264-8-6-117(200)240-194(264)298)366-99(78)36-347-411(320,321)391-84-16-125(270-59-226-139-153(202)216-54-221-158(139)270)372-104(84)41-351-414(326,327)392-85-17-126(271-60-227-140-154(203)217-55-222-159(140)271)373-105(85)42-352-415(328,329)393-86-18-127(272-61-228-141-155(204)218-56-223-160(141)272)374-106(86)43-354-418(334,335)398-91-24-133(278-67-234-147-166(278)245-188(210)254-179(147)292)377-109(91)46-357-408(314,315)387-80-13-122(267-31-74(3)173(286)261-197(267)301)367-100(80)37-348-405(308,309)384-77-10-119(263-7-5-116(199)239-193(263)297)365-98(77)35-346-407(312,313)386-79-12-121(266-30-73(2)172(285)260-196(266)300)368-101(79)38-349-412(322,323)395-88-21-130(275-64-231-144-163(275)242-185(207)251-176(144)289)382-114(88)51-362-422(342,343)402-95-28-137(282-71-238-151-170(282)249-192(214)258-183(151)296)383-115(95)52-363-420(338,339)400-92-25-134(279-68-235-148-167(279)246-189(211)255-180(148)293)378-110(92)47-358-409(316,317)388-81-14-123(268-32-75(4)174(287)262-198(268)302)369-102(81)39-350-413(324,325)396-89-22-131(276-65-232-145-164(276)243-186(208)252-177(145)290)381-113(89)50-361-421(340,341)401-94-27-136(281-70-237-150-169(281)248-191(213)257-182(150)295)380-112(94)49-360-416(330,331)394-87-19-128(273-62-229-142-156(205)219-57-224-161(142)273)375-107(87)44-355-419(336,337)399-93-26-135(280-69-236-149-168(280)247-190(212)256-181(149)294)379-111(93)48-359-410(318,319)389-82-20-129(370-97(82)34-344-403(303,304)305)274-63-230-143-162(274)241-184(206)250-175(143)288/h5-8,29-32,53-71,76-115,118-137,283H,9-28,33-52H2,1-4H3,(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H2,199,239,297)(H2,200,240,298)(H2,201,215,220)(H2,202,216,221)(H2,203,217,222)(H2,204,218,223)(H2,205,219,224)(H,259,284,299)(H,260,285,300)(H,261,286,301)(H,262,287,302)(H2,303,304,305)(H3,206,241,250,288)(H3,207,242,251,289)(H3,208,243,252,290)(H3,209,244,253,291)(H3,210,245,254,292)(H3,211,246,255,293)(H3,212,247,256,294)(H3,213,248,257,295)(H3,214,249,258,296)
InChIKey
BOTJDLJHWFEKEV-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

6339.0483 Da
Monoisotopic Mass

-41.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6340.0556 311.5
[M+Na]+ 6362.0375 311.5
[M-H]- 6338.0410 311.5
[M+NH4]+ 6357.0821 311.5
[M+K]+ 6378.0115 311.5
[M+H-H2O]+ 6322.0456 311.5
[M+HCOO]- 6384.0465 311.5
[M+CH3COO]- 6398.0622 311.5
[M+Na-2H]- 6360.0230 311.5
[M]+ 6339.0478 311.5
[M]- 6339.0488 311.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.