CID 16133692
Hna ga
Structural Information
- Molecular Formula
- C168H223N62O93P15
- SMILES
- C1C(COC(C1O)COP(=O)(O)OC2CC(COC2COP(=O)(O)OC3CC(COC3COP(=O)(O)OC4CC(COC4COP(=O)(O)OC5CC(COC5COP(=O)(O)OC6CC(COC6COP(=O)(O)OC7CC(COC7COP(=O)(O)OC8CC(COC8COP(=O)(O)OC9CC(COC9COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1CC(COC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=O)NC1=O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=O)NC1=O)N1C=NC2=C1N=C(NC2=O)N
- InChI
- InChI=1S/C168H223N62O93P15/c169-124-1-9-215(161(240)197-124)77-18-93(108(33-231)278-35-77)309-325(250,251)295-58-117-101(26-85(43-287-117)223-68-189-132-140(175)183-65-186-143(132)223)317-332(264,265)299-54-113-97(22-81(39-283-113)219-13-5-128(173)201-165(219)244)314-331(262,263)305-62-121-105(30-89(47-291-121)228-73-194-137-148(228)207-158(180)212-153(137)237)323-338(276,277)308-64-123-106(31-90(49-293-123)229-74-195-138-149(229)208-159(181)213-154(138)238)321-336(272,273)302-57-116-100(25-84(42-286-116)222-16-8-131(234)204-168(222)247)316-328(256,257)298-53-112-95(20-79(37-282-112)217-11-3-126(171)199-163(217)242)312-326(252,253)296-51-110-94(19-78(36-280-110)216-10-2-125(170)198-162(216)241)311-327(254,255)297-52-111-96(21-80(38-281-111)218-12-4-127(172)200-164(218)243)313-329(258,259)303-59-118-102(27-86(44-288-118)224-69-190-133-141(176)184-66-187-144(133)224)319-334(268,269)307-63-122-107(32-91(48-292-122)230-75-196-139-150(230)209-160(182)214-155(139)239)322-337(274,275)306-60-119-103(28-87(45-289-119)225-70-191-134-142(177)185-67-188-145(134)225)318-333(266,267)300-55-114-98(23-82(40-284-114)220-14-6-129(174)202-166(220)245)315-330(260,261)304-61-120-104(29-88(46-290-120)227-72-193-136-147(227)206-157(179)211-152(136)236)320-335(270,271)301-56-115-99(24-83(41-285-115)221-15-7-130(233)203-167(221)246)310-324(248,249)294-50-109-92(232)17-76(34-279-109)226-71-192-135-146(226)205-156(178)210-151(135)235/h1-16,65-123,231-232H,17-64H2,(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H2,169,197,240)(H2,170,198,241)(H2,171,199,242)(H2,172,200,243)(H2,173,201,244)(H2,174,202,245)(H2,175,183,186)(H2,176,184,187)(H2,177,185,188)(H,203,233,246)(H,204,234,247)(H3,178,205,210,235)(H3,179,206,211,236)(H3,180,207,212,237)(H3,181,208,213,238)(H3,182,209,214,239)
- InChIKey
- WSIGWKBUQIKCQW-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5062.0763 | 312.3 |
[M+Na]+ | 5084.0582 | 312.4 |
[M-H]- | 5060.0617 | 312.3 |
[M+NH4]+ | 5079.1028 | 312.3 |
[M+K]+ | 5100.0322 | 312.3 |
[M+H-H2O]+ | 5044.0663 | 312.2 |
[M+HCOO]- | 5106.0672 | 312.3 |
[M+CH3COO]- | 5120.0829 | 312.3 |
[M+Na-2H]- | 5082.0437 | 312.3 |
[M]+ | 5061.0685 | 312.3 |
[M]- | 5061.0695 | 312.3 |