CID 16131492
Dgtggtgggtgggtgggt-cholesterol
Structural Information
- Molecular Formula
- C170H211N70O108P17
- 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)O)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=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=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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C170H211N70O108P17/c1-57-23-224(166(259)219-137(57)242)96-6-62(241)79(316-96)28-300-350(267,268)338-68-12-102(230-46-184-114-126(230)196-155(172)208-143(114)248)322-85(68)34-309-359(285,286)346-76-20-110(238-54-192-122-134(238)204-163(180)216-151(122)256)330-93(76)42-313-361(289,290)343-73-17-107(235-51-189-119-131(235)201-160(177)213-148(119)253)324-87(73)36-306-352(271,272)335-65-9-99(227-26-60(4)140(245)222-169(227)262)319-83(65)32-303-357(281,282)340-70-14-104(232-48-186-116-128(232)198-157(174)210-145(116)250)328-91(70)40-311-364(295,296)348-78-22-112(240-56-194-124-136(240)206-165(182)218-153(124)258)332-95(78)44-315-363(293,294)345-75-19-109(237-53-191-121-133(237)203-162(179)215-150(121)255)326-89(75)38-308-354(275,276)336-66-10-100(228-27-61(5)141(246)223-170(228)263)320-84(66)33-304-358(283,284)341-71-15-105(233-49-187-117-129(233)199-158(175)211-146(117)251)329-92(71)41-312-365(297,298)347-77-21-111(239-55-193-123-135(239)205-164(181)217-152(123)257)331-94(77)43-314-362(291,292)344-74-18-108(236-52-190-120-132(236)202-161(178)214-149(120)254)325-88(74)37-307-353(273,274)334-64-8-98(226-25-59(3)139(244)221-168(226)261)318-82(64)31-302-356(279,280)339-69-13-103(231-47-185-115-127(231)197-156(173)209-144(115)249)327-90(69)39-310-360(287,288)342-72-16-106(234-50-188-118-130(234)200-159(176)212-147(118)252)323-86(72)35-305-351(269,270)333-63-7-97(225-24-58(2)138(243)220-167(225)260)317-81(63)30-301-355(277,278)337-67-11-101(321-80(67)29-299-349(264,265)266)229-45-183-113-125(229)195-154(171)207-142(113)247/h23-27,45-56,62-112,241H,6-22,28-44H2,1-5H3,(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)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,219,242,259)(H,220,243,260)(H,221,244,261)(H,222,245,262)(H,223,246,263)(H2,264,265,266)(H3,171,195,207,247)(H3,172,196,208,248)(H3,173,197,209,249)(H3,174,198,210,250)(H3,175,199,211,251)(H3,176,200,212,252)(H3,177,201,213,253)(H3,178,202,214,254)(H3,179,203,215,255)(H3,180,204,216,256)(H3,181,205,217,257)(H3,182,206,218,258)
- InChIKey
- HRQZOMIEGXHOGU-UHFFFAOYSA-N
- Compound name
- [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-[[[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-[[[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-(phosphonooxymethyl)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]-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]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] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5487.8783 | 311.5 |
[M+Na]+ | 5509.8602 | 311.5 |
[M-H]- | 5485.8637 | 311.5 |
[M+NH4]+ | 5504.9048 | 311.5 |
[M+K]+ | 5525.8342 | 311.5 |
[M+H-H2O]+ | 5469.8683 | 311.5 |
[M+HCOO]- | 5531.8692 | 311.5 |
[M+CH3COO]- | 5545.8849 | 311.5 |
[M+Na-2H]- | 5507.8457 | 311.5 |
[M]+ | 5486.8705 | 311.5 |
[M]- | 5486.8715 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.