CID 16131977

-tggacuucgguccaaaaacgucgguuut-

Structural Information

Molecular Formula
C267H331N101O197P28
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(OC4CC(OC4COP(=O)(OC5C(COP(=O)(OC6C(COP(=O)(OC7C(COP(=O)(OC8C(COP(=O)(OC9C(COP(=O)(OC1C(COP(=O)(OC2C(COP(=O)(OC4C(COP(=O)(OC%10C(COP(=O)(OC%11C(COP(=O)(OC%12C(COP(=O)(OC%13C(COP(=O)(OC%14C(COP(=O)(OC%15C(COP(=O)(OC%16C(COP(=O)(OC%17C(COP(=O)(OC%18C(COP(=O)(OC%19C(COP(=O)(OC%20C(COP(=O)(OC%21C(COP(=O)(OC%22C(COP(=O)(OC%23C(COP(=O)(OC%24C(COP(=O)(OC%25C(COP(=O)(OC%26C(COP(=O)(OC%27C(COP(=O)(O3)O)OC(C%27O)N3C=NC%27=C3N=C(NC%27=O)N)O)OC(C%26O)N3C=NC%26=C3N=C(NC%26=O)N)O)OC(C%25O)N3C=NC%25=C(N=CN=C%253)N)O)OC(C%24O)N3C=CC(=NC3=O)N)O)OC(C%23O)N3C=CC(=O)NC3=O)O)OC(C%22O)N3C=CC(=O)NC3=O)O)OC(C%21O)N3C=CC(=NC3=O)N)O)OC(C%20O)N3C=NC%20=C3N=C(NC%20=O)N)O)OC(C%19O)N3C=NC%19=C3N=C(NC%19=O)N)O)OC(C%18O)N3C=CC(=O)NC3=O)O)OC(C%17O)N3C=CC(=NC3=O)N)O)OC(C%16O)N3C=CC(=NC3=O)N)O)OC(C%15O)N3C=NC%15=C(N=CN=C%153)N)O)OC(C%14O)N3C=NC%14=C(N=CN=C%143)N)O)OC(C%13O)N3C=NC%13=C(N=CN=C%133)N)O)OC(C%12O)N3C=NC%12=C(N=CN=C%123)N)O)OC(C%11O)N3C=NC%11=C(N=CN=C%113)N)O)OC(C%10O)N3C=CC(=NC3=O)N)O)OC(C4O)N3C=NC4=C3N=C(NC4=O)N)O)OC(C2O)N2C=CC(=O)NC2=O)O)OC(C1O)N1C=CC(=NC1=O)N)O)OC(C9O)N1C=NC2=C1N=C(NC2=O)N)O)OC(C8O)N1C=NC2=C1N=C(NC2=O)N)O)OC(C7O)N1C=CC(=O)NC1=O)O)OC(C6O)N1C=CC(=O)NC1=O)O)OC(C5O)N1C=CC(=O)NC1=O)O)N1C=C(C(=O)NC1=O)C)O
InChI
InChI=1S/C267H331N101O197P28/c1-80-31-354(266(424)339-211(80)402)125-29-82-84(510-125)33-482-566(426,427)538-83-30-126(355-32-81(2)212(403)340-267(355)425)511-85(83)34-483-568(430,431)540-172-92(518-226(146(172)382)347-22-9-118(369)318-259(347)417)42-489-574(442,443)550-175-95(521-229(149(175)385)350-25-12-121(372)321-262(350)420)45-492-576(446,447)552-178-98(524-232(152(178)388)353-28-15-124(375)324-265(353)423)48-497-585(464,465)562-188-110(536-242(162(188)398)365-76-308-136-207(365)328-249(283)335-216(136)407)60-509-593(480,481)565-190-108(534-244(164(190)400)367-78-310-138-209(367)330-251(285)337-218(138)409)57-506-579(452,453)545-170-89(515-224(144(170)380)345-20-7-116(272)316-257(345)415)39-488-573(440,441)549-177-96(522-231(151(177)387)352-27-14-123(374)323-264(352)422)46-495-583(460,461)560-186-106(532-240(160(186)396)363-74-306-134-205(363)326-247(281)333-214(134)405)55-504-580(454,455)546-171-91(517-225(145(171)381)346-21-8-117(273)317-258(346)416)41-494-582(458,459)553-179-101(526-233(153(179)389)356-67-299-127-192(274)287-61-293-198(127)356)50-499-587(468,469)556-182-103(528-236(156(182)392)359-70-302-130-195(277)290-64-296-201(130)359)52-501-589(472,473)558-184-104(529-238(158(184)394)361-72-304-132-197(279)292-66-298-203(132)361)53-502-588(470,471)557-183-102(527-237(157(183)393)360-71-303-131-196(278)291-65-297-202(131)360)51-500-586(466,467)555-181-100(525-235(155(181)391)358-69-301-129-194(276)289-63-295-200(129)358)49-498-577(448,449)543-168-87(513-222(142(168)378)343-18-5-114(270)314-255(343)413)36-485-569(432,433)541-166-86(512-220(140(166)376)341-16-3-112(268)312-253(341)411)37-486-572(438,439)548-176-97(523-230(150(176)386)351-26-13-122(373)322-263(351)421)47-496-584(462,463)561-187-109(535-241(161(187)397)364-75-307-135-206(364)327-248(282)334-215(135)406)59-508-592(478,479)564-189-107(533-243(163(189)399)366-77-309-137-208(366)329-250(284)336-217(137)408)56-505-578(450,451)544-169-88(514-223(143(169)379)344-19-6-115(271)315-256(344)414)38-487-571(436,437)547-173-94(520-227(147(173)383)348-23-10-119(370)319-260(348)418)44-491-575(444,445)551-174-93(519-228(148(174)384)349-24-11-120(371)320-261(349)419)43-490-570(434,435)542-167-90(516-221(141(167)377)342-17-4-113(269)313-254(342)412)40-493-581(456,457)554-180-105(530-234(154(180)390)357-68-300-128-193(275)288-62-294-199(128)357)54-503-590(474,475)563-191-111(537-245(165(191)401)368-79-311-139-210(368)331-252(286)338-219(139)410)58-507-591(476,477)559-185-99(35-484-567(428,429)539-82)531-239(159(185)395)362-73-305-133-204(362)325-246(280)332-213(133)404/h3-28,31-32,61-79,82-111,125-126,140-191,220-245,376-401H,29-30,33-60H2,1-2H3,(H,426,427)(H,428,429)(H,430,431)(H,432,433)(H,434,435)(H,436,437)(H,438,439)(H,440,441)(H,442,443)(H,444,445)(H,446,447)(H,448,449)(H,450,451)(H,452,453)(H,454,455)(H,456,457)(H,458,459)(H,460,461)(H,462,463)(H,464,465)(H,466,467)(H,468,469)(H,470,471)(H,472,473)(H,474,475)(H,476,477)(H,478,479)(H,480,481)(H2,268,312,411)(H2,269,313,412)(H2,270,314,413)(H2,271,315,414)(H2,272,316,415)(H2,273,317,416)(H2,274,287,293)(H2,275,288,294)(H2,276,289,295)(H2,277,290,296)(H2,278,291,297)(H2,279,292,298)(H,318,369,417)(H,319,370,418)(H,320,371,419)(H,321,372,420)(H,322,373,421)(H,323,374,422)(H,324,375,423)(H,339,402,424)(H,340,403,425)(H3,280,325,332,404)(H3,281,326,333,405)(H3,282,327,334,406)(H3,283,328,335,407)(H3,284,329,336,408)(H3,285,330,337,409)(H3,286,331,338,410)
InChIKey
KBFVOGSBWWERRE-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

8970.164 Da
Monoisotopic Mass

-82.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 8971.1713 311.5
[M+Na]+ 8993.1532 311.5
[M-H]- 8969.1567 311.5
[M+NH4]+ 8988.1978 311.5
[M+K]+ 9009.1272 311.5
[M+H-H2O]+ 8953.1613 311.5
[M+HCOO]- 9015.1622 311.5
[M+CH3COO]- 9029.1779 311.5
[M+Na-2H]- 8991.1387 311.5
[M]+ 8970.1635 311.5
[M]- 8970.1645 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.