CID 16186137
Se-dc28
Structural Information
- Molecular Formula
- C252H310N84O139P27Se27
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(OC3CC(OC3COP(=O)(OC4CC(OC4COP(=O)(OC5CC(OC5COP(=O)(OC6CC(OC6COP(=O)(OC7CC(OC7COP(=O)(OC8CC(OC8COP(=O)(OC9CC(OC9COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1CO)N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])O
- InChI
- InChI=1S/C252H310N84O139P27Se27/c253-169-1-29-309(225(339)281-169)197-57-113(338)142(422-197)86-394-476(367,503)450-115-59-199(311-31-3-171(255)283-227(311)341)424-144(115)88-396-478(369,505)452-117-61-201(313-33-5-173(257)285-229(313)343)426-146(117)90-398-480(371,507)454-119-63-203(315-35-7-175(259)287-231(315)345)428-148(119)92-400-482(373,509)456-121-65-205(317-37-9-177(261)289-233(317)347)430-150(121)94-402-484(375,511)458-123-67-207(319-39-11-179(263)291-235(319)349)432-152(123)96-404-486(377,513)460-125-69-209(321-41-13-181(265)293-237(321)351)434-154(125)98-406-488(379,515)462-127-71-211(323-43-15-183(267)295-239(323)353)436-156(127)100-408-490(381,517)464-129-73-213(325-45-17-185(269)297-241(325)355)438-158(129)102-410-492(383,519)466-131-75-215(327-47-19-187(271)299-243(327)357)440-160(131)104-412-494(385,521)468-133-77-217(329-49-21-189(273)301-245(329)359)442-162(133)106-414-496(387,523)470-135-79-219(331-51-23-191(275)303-247(331)361)444-164(135)108-416-498(389,525)472-137-81-221(333-53-25-193(277)305-249(333)363)446-166(137)110-418-500(391,527)474-139-83-223(335-55-27-195(279)307-251(335)365)448-168(139)112-420-502(393,529)475-140-84-224(336-56-28-196(280)308-252(336)366)447-167(140)111-419-501(392,528)473-138-82-222(334-54-26-194(278)306-250(334)364)445-165(138)109-417-499(390,526)471-136-80-220(332-52-24-192(276)304-248(332)362)443-163(136)107-415-497(388,524)469-134-78-218(330-50-22-190(274)302-246(330)360)441-161(134)105-413-495(386,522)467-132-76-216(328-48-20-188(272)300-244(328)358)439-159(132)103-411-493(384,520)465-130-74-214(326-46-18-186(270)298-242(326)356)437-157(130)101-409-491(382,518)463-128-72-212(324-44-16-184(268)296-240(324)354)435-155(128)99-407-489(380,516)461-126-70-210(322-42-14-182(266)294-238(322)352)433-153(126)97-405-487(378,514)459-124-68-208(320-40-12-180(264)292-236(320)350)431-151(124)95-403-485(376,512)457-122-66-206(318-38-10-178(262)290-234(318)348)429-149(122)93-401-483(374,510)455-120-64-204(316-36-8-176(260)288-232(316)346)427-147(120)91-399-481(372,508)453-118-62-202(314-34-6-174(258)286-230(314)344)425-145(118)89-397-479(370,506)451-116-60-200(312-32-4-172(256)284-228(312)342)423-143(116)87-395-477(368,504)449-114-58-198(421-141(114)85-337)310-30-2-170(254)282-226(310)340/h1-56,113-168,197-224,337-338H,57-112H2,(H2,253,281,339)(H2,254,282,340)(H2,255,283,341)(H2,256,284,342)(H2,257,285,343)(H2,258,286,344)(H2,259,287,345)(H2,260,288,346)(H2,261,289,347)(H2,262,290,348)(H2,263,291,349)(H2,264,292,350)(H2,265,293,351)(H2,266,294,352)(H2,267,295,353)(H2,268,296,354)(H2,269,297,355)(H2,270,298,356)(H2,271,299,357)(H2,272,300,358)(H2,273,301,359)(H2,274,302,360)(H2,275,303,361)(H2,276,304,362)(H2,277,305,363)(H2,278,306,364)(H2,279,307,365)(H2,280,308,366)
- InChIKey
- FMUZDOGKUUYXNT-UHFFFAOYSA-N
- Compound name
- None
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 9731.0223 | 311.5 |
[M+Na]+ | 9753.0042 | 311.5 |
[M-H]- | 9729.0077 | 311.5 |
[M+NH4]+ | 9748.0488 | 311.5 |
[M+K]+ | 9768.9782 | 311.5 |
[M+H-H2O]+ | 9713.0123 | 311.5 |
[M+HCOO]- | 9775.0132 | 311.5 |
[M+CH3COO]- | 9789.0289 | 311.5 |
[M+Na-2H]- | 9750.9897 | 311.5 |
[M]+ | 9730.0145 | 311.5 |
[M]- | 9730.0155 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.