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disulfide-linked d(S-TGCGAATTCGCT-S/S-TCGCTTAAGCGT-S)

PropertiesImage
MNX_IDMNXM155511 Image of MNXM155511
referencechebi:75875
formulaC242H310N84O144P22S4
global charge0
mol weight7509.282
InChIKeyLBSNVSZABVQZOK-YWOZWUAOSA-N
InChIInChI=1S/C242H310N84O144P22S4/c1-99-53-309(235(351)295-209(99)331)169-39-117-141(435-169)71-411-475(367,368)451-113-35-165(301-17-11-157(245)279-231(301)347)431-137(113)67-407-485(387,388)467-127-49-181(323-95-273-191-205(323)285-225(255)291-215(191)337)445-151(127)81-421-479(375,376)453-111-33-163(299-15-9-155(243)277-229(299)345)429-135(111)65-405-473(363,364)449-109-31-173(425-131(109)61-327)315-59-105(7)221(343)307(241(315)357)23-27-495-493-25-21-305-219(341)103(5)57-313(239(305)355)161-29-107(329)133(427-161)64-404-472(361,362)462-126-48-180(322-94-272-190-204(322)284-224(254)290-214(190)336)444-150(126)80-420-478(373,374)456-116-38-168(304-20-14-160(248)282-234(304)350)434-140(116)70-410-488(393,394)470-130-52-184(326-98-276-194-208(326)288-228(258)294-218(194)340)448-154(130)84-424-492(401,402)466-124-46-178(320-92-270-188-198(252)262-88-266-202(188)320)442-148(124)78-418-490(397,398)464-122-44-176(318-90-268-186-196(250)260-86-264-200(186)318)440-146(122)76-416-484(385,386)460-120-42-172(312-56-102(4)212(334)298-238(312)354)438-144(120)74-414-482(381,382)458-118-40-170(310-54-100(2)210(332)296-236(310)352)436-142(118)72-412-476(369,370)452-114-36-166(302-18-12-158(246)280-232(302)348)432-138(114)68-408-486(389,390)468-128-50-182(324-96-274-192-206(324)286-226(256)292-216(192)338)446-152(128)82-422-480(377,378)454-112-34-164(300-16-10-156(244)278-230(300)346)430-136(112)66-406-474(365,366)450-110-32-174(426-132(110)62-328)316-60-106(8)222(344)308(242(316)358)24-28-496-494-26-22-306-220(342)104(6)58-314(240(306)356)162-30-108(330)134(428-162)63-403-471(359,360)461-125-47-179(321-93-271-189-203(321)283-223(253)289-213(189)335)443-149(125)79-419-477(371,372)455-115-37-167(303-19-13-159(247)281-233(303)349)433-139(115)69-409-487(391,392)469-129-51-183(325-97-275-193-207(325)287-227(257)293-217(193)339)447-153(129)83-423-491(399,400)465-123-45-177(319-91-269-187-197(251)261-87-265-201(187)319)441-147(123)77-417-489(395,396)463-121-43-175(317-89-267-185-195(249)259-85-263-199(185)317)439-145(121)75-415-483(383,384)459-119-41-171(311-55-101(3)211(333)297-237(311)353)437-143(119)73-413-481(379,380)457-117/h9-20,53-60,85-98,107-154,161-184,327-330H,21-52,61-84H2,1-8H3,(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,369,370)(H,371,372)(H,373,374)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H2,243,277,345)(H2,244,278,346)(H2,245,279,347)(H2,246,280,348)(H2,247,281,349)(H2,248,282,350)(H2,249,259,263)(H2,250,260,264)(H2,251,261,265)(H2,252,262,266)(H,295,331,351)(H,296,332,352)(H,297,333,353)(H,298,334,354)(H3,253,283,289,335)(H3,254,284,290,336)(H3,255,285,291,337)(H3,256,286,292,338)(H3,257,287,293,339)(H3,258,288,294,340)/t107-,108-,109-,110-,111?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121?,122?,123?,124?,125?,126?,127?,128?,129?,130?,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,161?,162?,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174?,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+/m0/s1
SMILESCC1=CN([C@H]2C[C@H]3OP(=O)(O)OC[C@H]4O[C@@H](N5C=C(C)C(=O)NC5=O)C[C@H]4OP(=O)(O)OC[C@H]4O[C@@H](N5C=NC6=C5N=CN=C6N)C[C@H]4OP(=O)(O)OC[C@H]4O[C@@H](N5C=NC6=C5N=CN=C6N)C[C@H]4OP(=O)(O)OC[C@H]4O[C@@H](N5C=NC6=C5N=C(N)NC6=O)C[C@H]4OP(=O)(O)OC[C@H]4O[C@@H](N5C=CC(N)=NC5=O)C[C@H]4OP(=O)(O)OC[C@H]4O[C@@H](N5C=NC6=C5N=C(N)NC6=O)C[C@H]4OP(=O)(O)OC[C@H]4O[C@@H](C[C@@H]4O)N4C=C(C)C(=O)N(CCSSCCN5C(=O)C(C)=CN(C5=O)[C@H]5C[C@H](OP(=O)(O)OC[C@H]6O[C@@H](N7C=CC(N)=NC7=O)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=NC8=C7N=C(N)NC8=O)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=CC(N)=NC7=O)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=C(C)C(=O)NC7=O)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=C(C)C(=O)NC7=O)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=NC8=C7N=CN=C8N)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=NC8=C7N=CN=C8N)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=NC8=C7N=C(N)NC8=O)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=CC(N)=NC7=O)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](N7C=NC8=C7N=C(N)NC8=O)C[C@H]6OP(=O)(O)OC[C@H]6O[C@@H](C[C@@H]6O)N6C=C(C)C(=O)N(CCSSCCN7C(=O)C(C)=CN(C7=O)[C@@H]7C[C@H](OP(=O)(O)OC[C@H]8O[C@@H](N9C=CC(N)=NC9=O)C[C@H]8OP(=O)(O)OC[C@H]8O[C@@H](N9C=NC%10=C9N=C(N)NC%10=O)C[C@H]8OP(=O)(O)OC[C@H]8O[C@@H](N9C=CC(N)=NC9=O)C[C@H]8OP(=O)(O)OC[C@H]3O2)[C@@H](CO)O7)C6=O)[C@@H](CO)O5)C4=O)C(=O)NC1=O
MNX internals
InChI (mnx)InChI=1/C242H310N84O144P22S4/c1-99-53-309(235(351)295-209(99)331)169-39-117-141(435-169)71-411-475(367,368)451-113-35-165(301-17-11-157(245)279-231(301)347)431-137(113)67-407-485(387,388)467-127-49-181(323-95-273-191-205(323)285-225(255)291-215(191)337)445-151(127)81-421-479(375,376)453-111-33-163(299-15-9-155(243)277-229(299)345)429-135(111)65-405-473(363,364)449-109-31-173(425-131(109)61-327)315-59-105(7)221(343)307(241(315)357)23-27-495-493-25-21-305-219(341)103(5)57-313(239(305)355)161-29-107(329)133(427-161)64-404-472(361,362)462-126-48-180(322-94-272-190-204(322)284-224(254)290-214(190)336)444-150(126)80-420-478(373,374)456-116-38-168(304-20-14-160(248)282-234(304)350)434-140(116)70-410-488(393,394)470-130-52-184(326-98-276-194-208(326)288-228(258)294-218(194)340)448-154(130)84-424-492(401,402)466-124-46-178(320-92-270-188-198(252)262-88-266-202(188)320)442-148(124)78-418-490(397,398)464-122-44-176(318-90-268-186-196(250)260-86-264-200(186)318)440-146(122)76-416-484(385,386)460-120-42-172(312-56-102(4)212(334)298-238(312)354)438-144(120)74-414-482(381,382)458-118-40-170(310-54-100(2)210(332)296-236(310)352)436-142(118)72-412-476(369,370)452-114-36-166(302-18-12-158(246)280-232(302)348)432-138(114)68-408-486(389,390)468-128-50-182(324-96-274-192-206(324)286-226(256)292-216(192)338)446-152(128)82-422-480(377,378)454-112-34-164(300-16-10-156(244)278-230(300)346)430-136(112)66-406-474(365,366)450-110-32-174(426-132(110)62-328)316-60-106(8)222(344)308(242(316)358)24-28-496-494-26-22-306-220(342)104(6)58-314(240(306)356)162-30-108(330)134(428-162)63-403-471(359,360)461-125-47-179(321-93-271-189-203(321)283-223(253)289-213(189)335)443-149(125)79-419-477(371,372)455-115-37-167(303-19-13-159(247)281-233(303)349)433-139(115)69-409-487(391,392)469-129-51-183(325-97-275-193-207(325)287-227(257)293-217(193)339)447-153(129)83-423-491(399,400)465-123-45-177(319-91-269-187-197(251)261-87-265-201(187)319)441-147(123)77-417-489(395,396)463-121-43-175(317-89-267-185-195(249)259-85-263-199(185)317)439-145(121)75-415-483(383,384)459-119-41-171(311-55-101(3)211(333)297-237(311)353)437-143(119)73-413-481(379,380)457-117/h9-20,53-60,85-98,107-154,161-184,327-330H,21-52,61-84H2,1-8H3,(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,369,370)(H,371,372)(H,373,374)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H2,243,277,345)(H2,244,278,346)(H2,245,279,347)(H2,246,280,348)(H2,247,281,349)(H2,248,282,350)(H2,249,259,263)(H2,250,260,264)(H2,251,261,265)(H2,252,262,266)(H,295,331,351)(H,296,332,352)(H,297,333,353)(H,298,334,354)(H3,253,283,289,335)(H3,254,284,290,336)(H3,255,285,291,337)(H3,256,286,292,338)(H3,257,287,293,339)(H3,258,288,294,340)/t107-,108-,109-,110-,111?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121?,122?,123?,124?,125?,126?,127?,128?,129?,130?,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,161?,162?,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173?,174?,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+/m0/s1 Image of MNXM155511
SMILES (mnx)[CH3:1][C:99]1=[CH:53][N:309]([C@H:169]2[CH2:39][CH:117]3[C@@H:141]([CH2:71][O:411][P:475]([OH:367])(=[O:368])[O:451][CH:113]4[CH2:35][C@H:165]([N:301]5[CH:17]=[CH:11][C:157](=[NH:245])[N:279]=[C:231]5[OH:347])[O:431][C@@H:137]4[CH2:67][O:407][P:485]([OH:387])(=[O:388])[O:467][CH:127]4[CH2:49][C@H:181]([N:323]5[CH:95]=[N:273][C:191]6=[C:205]5[NH:285][C:225](=[NH:255])[N:291]=[C:215]6[OH:337])[O:445][C@@H:151]4[CH2:81][O:421][P:479]([OH:375])(=[O:376])[O:453][CH:111]4[CH2:33][C@H:163]([N:299]5[CH:15]=[CH:9][C:155](=[NH:243])[N:277]=[C:229]5[OH:345])[O:429][C@@H:135]4[CH2:65][O:405][P:473]([OH:363])(=[O:364])[O:449][C@H:109]4[CH2:31][C@@H:173]([N:315]5[CH:59]=[C:105]([CH3:7])[C:221](=[O:343])[N:307]([CH2:23][CH2:27][S:495][S:493][CH2:25][CH2:21][N:305]6[C:219](=[O:341])[C:103]([CH3:5])=[CH:57][N:313]([CH:161]7[CH2:29][C@H:107]([OH:329])[C@@H:133]([CH2:64][O:404][P:472]([OH:361])(=[O:362])[O:462][CH:126]8[CH2:48][C@H:180]([N:322]9[CH:94]=[N:272][C:190]%10=[C:204]9[NH:284][C:224](=[NH:254])[N:290]=[C:214]%10[OH:336])[O:444][C@@H:150]8[CH2:80][O:420][P:478]([OH:373])(=[O:374])[O:456][CH:116]8[CH2:38][C@H:168]([N:304]9[CH:20]=[CH:14][C:160](=[NH:248])[N:282]=[C:234]9[OH:350])[O:434][C@@H:140]8[CH2:70][O:410][P:488]([OH:393])(=[O:394])[O:470][CH:130]8[CH2:52][C@H:184]([N:326]9[CH:98]=[N:276][C:194]%10=[C:208]9[NH:288][C:228](=[NH:258])[N:294]=[C:218]%10[OH:340])[O:448][C@@H:154]8[CH2:84][O:424][P:492]([OH:401])(=[O:402])[O:466][CH:124]8[CH2:46][C@H:178]([N:320]9[CH:92]=[N:270][C:188]%10=[C:198]([NH2:252])[N:262]=[CH:88][N:266]=[C:202]%109)[O:442][C@@H:148]8[CH2:78][O:418][P:490]([OH:397])(=[O:398])[O:464][CH:122]8[CH2:44][C@H:176]([N:318]9[CH:90]=[N:268][C:186]%10=[C:196]([NH2:250])[N:260]=[CH:86][N:264]=[C:200]%109)[O:440][C@@H:146]8[CH2:76][O:416][P:484]([OH:385])(=[O:386])[O:460][CH:120]8[CH2:42][C@H:172]([N:312]9[CH:56]=[C:102]([CH3:4])[C:212]([OH:334])=[N:298][C:238]9=[O:354])[O:438][C@@H:144]8[CH2:74][O:414][P:482]([OH:381])(=[O:382])[O:458][CH:118]8[CH2:40][C@H:170]([N:310]9[CH:54]=[C:100]([CH3:2])[C:210]([OH:332])=[N:296][C:236]9=[O:352])[O:436][C@@H:142]8[CH2:72][O:412][P:476]([OH:369])(=[O:370])[O:452][CH:114]8[CH2:36][C@H:166]([N:302]9[CH:18]=[CH:12][C:158](=[NH:246])[N:280]=[C:232]9[OH:348])[O:432][C@@H:138]8[CH2:68][O:408][P:486]([OH:389])(=[O:390])[O:468][CH:128]8[CH2:50][C@H:182]([N:324]9[CH:96]=[N:274][C:192]%10=[C:206]9[NH:286][C:226](=[NH:256])[N:292]=[C:216]%10[OH:338])[O:446][C@@H:152]8[CH2:82][O:422][P:480]([OH:377])(=[O:378])[O:454][CH:112]8[CH2:34][C@H:164]([N:300]9[CH:16]=[CH:10][C:156](=[NH:244])[N:278]=[C:230]9[OH:346])[O:430][C@@H:136]8[CH2:66][O:406][P:474]([OH:365])(=[O:366])[O:450][C@H:110]8[CH2:32][CH:174]([N:316]9[CH:60]=[C:106]([CH3:8])[C:222](=[O:344])[N:308]([CH2:24][CH2:28][S:496][S:494][CH2:26][CH2:22][N:306]%10[C:220](=[O:342])[C:104]([CH3:6])=[CH:58][N:314]([CH:162]%11[CH2:30][C@H:108]([OH:330])[C@@H:134]([CH2:63][O:403][P:471]([OH:359])(=[O:360])[O:461][CH:125]%12[CH2:47][C@H:179]([N:321]%13[CH:93]=[N:271][C:189]%14=[C:203]%13[NH:283][C:223](=[NH:253])[N:289]=[C:213]%14[OH:335])[O:443][C@@H:149]%12[CH2:79][O:419][P:477]([OH:371])(=[O:372])[O:455][CH:115]%12[CH2:37][C@H:167]([N:303]%13[CH:19]=[CH:13][C:159](=[NH:247])[N:281]=[C:233]%13[OH:349])[O:433][C@@H:139]%12[CH2:69][O:409][P:487]([OH:391])(=[O:392])[O:469][CH:129]%12[CH2:51][C@H:183]([N:325]%13[CH:97]=[N:275][C:193]%14=[C:207]%13[NH:287][C:227](=[NH:257])[N:293]=[C:217]%14[OH:339])[O:447][C@@H:153]%12[CH2:83][O:423][P:491]([OH:399])(=[O:400])[O:465][CH:123]%12[CH2:45][C@H:177]([N:319]%13[CH:91]=[N:269][C:187]%14=[C:197]([NH2:251])[N:261]=[CH:87][N:265]=[C:201]%14%13)[O:441][C@@H:147]%12[CH2:77][O:417][P:489]([OH:395])(=[O:396])[O:463][CH:121]%12[CH2:43][C@H:175]([N:317]%13[CH:89]=[N:267][C:185]%14=[C:195]([NH2:249])[N:259]=[CH:85][N:263]=[C:199]%14%13)[O:439][C@@H:145]%12[CH2:75][O:415][P:483]([OH:383])(=[O:384])[O:459][CH:119]%12[CH2:41][C@H:171]([N:311]%13[CH:55]=[C:101]([CH3:3])[C:211]([OH:333])=[N:297][C:237]%13=[O:353])[O:437][C@@H:143]%12[CH2:73][O:413][P:481]([OH:379])(=[O:380])[O:457]3)[O:428]%11)[C:240]%10=[O:356])[C:242]9=[O:358])[O:426][C@@H:132]8[CH2:62][OH:328])[O:427]7)[C:239]6=[O:355])[C:241]5=[O:357])[O:425][C@@H:131]4[CH2:61][OH:327])[O:435]2)[C:235](=[O:351])[N:295]=[C:209]1[OH:331]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75875
chebi:75875
LBSNVSZABVQZOK-YWOZWUAOSA-N 		disulfide-linked d(S-TGCGAATTCGCT-S/S-TCGCTTAAGCGT-S)