CID 16197361
Cc aat tct gaa att gca taa a
Structural Information
- Molecular Formula
- C226H299N79O101P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3COP(=O)(C)OC4CC(OC4COP(=O)(C)OC5CC(OC5COP(=O)(C)OC6CC(OC6COP(=O)(C)OC7CC(OC7COP(=O)(C)OC8CC(OC8COP(=O)(C)OC9CC(OC9CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C226H299N79O101P20/c1-103-56-289(221(320)279-207(103)308)160-40-114(136(372-160)68-351-413(13,332)392-115-41-161(290-57-104(2)208(309)280-222(290)321)374-138(115)70-353-420(20,339)399-122-48-168(298-95-263-179-190(234)245-86-254-199(179)298)381-145(122)77-360-423(23,342)401-124-50-170(300-97-265-181-192(236)247-88-256-201(181)300)379-143(124)75-356-410(10,329)389-111-37-157(286-32-28-152(228)272-218(286)317)368-132(111)64-347-408(8,327)387-110-36-156(366-130(110)62-306)285-31-27-151(227)271-217(285)316)391-412(12,331)348-65-133-112(38-158(369-133)287-33-29-153(229)273-219(287)318)388-409(9,328)350-67-135-117(43-163(371-135)292-59-106(4)210(311)282-224(292)323)395-416(16,335)365-82-150-129(55-175(386-150)305-102-270-186-206(305)276-216(241)278-214(186)315)406-426(26,345)363-80-148-127(53-173(384-148)303-100-268-184-195(239)250-91-259-204(184)303)404-425(25,344)362-79-147-126(52-172(383-147)302-99-267-183-194(238)249-90-258-203(183)302)403-424(24,343)361-78-146-123(49-169(382-146)299-96-264-180-191(235)246-87-255-200(180)299)400-421(21,340)354-71-139-116(42-162(375-139)291-58-105(3)209(310)281-223(291)322)393-414(14,333)352-69-137-118(44-164(373-137)293-60-107(5)211(312)283-225(293)324)396-417(17,336)364-81-149-128(54-174(385-149)304-101-269-185-205(304)275-215(240)277-213(185)314)405-418(18,337)349-66-134-113(39-159(370-134)288-34-30-154(230)274-220(288)319)390-411(11,330)357-74-142-121(47-167(378-142)297-94-262-178-189(233)244-85-253-198(178)297)398-419(19,338)355-72-140-119(45-165(376-140)294-61-108(6)212(313)284-226(294)325)394-415(15,334)358-76-144-125(51-171(380-144)301-98-266-182-193(237)248-89-257-202(182)301)402-422(22,341)359-73-141-120(46-166(377-141)296-93-261-177-188(232)243-84-252-197(177)296)397-407(7,326)346-63-131-109(307)35-155(367-131)295-92-260-176-187(231)242-83-251-196(176)295/h27-34,56-61,83-102,109-150,155-175,306-307H,35-55,62-82H2,1-26H3,(H2,227,271,316)(H2,228,272,317)(H2,229,273,318)(H2,230,274,319)(H2,231,242,251)(H2,232,243,252)(H2,233,244,253)(H2,234,245,254)(H2,235,246,255)(H2,236,247,256)(H2,237,248,257)(H2,238,249,258)(H2,239,250,259)(H,279,308,320)(H,280,309,321)(H,281,310,322)(H,282,311,323)(H,283,312,324)(H,284,313,325)(H3,240,275,277,314)(H3,241,276,278,315)
- InChIKey
- CXRAHUTYBUUQEB-UHFFFAOYSA-N
- Compound name
- 1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6355.5513 | 311.5 |
[M+Na]+ | 6377.5332 | 311.5 |
[M-H]- | 6353.5367 | 311.5 |
[M+NH4]+ | 6372.5778 | 311.5 |
[M+K]+ | 6393.5072 | 311.5 |
[M+H-H2O]+ | 6337.5413 | 311.5 |
[M+HCOO]- | 6399.5422 | 311.5 |
[M+CH3COO]- | 6413.5579 | 311.5 |
[M+Na-2H]- | 6375.5187 | 311.5 |
[M]+ | 6354.5435 | 311.5 |
[M]- | 6354.5445 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.