MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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dT21

	Properties	Image
MNX_ID	MNXM155597
reference	chebi:75682
formula	C₂₁₀H₂₇₄N₄₂O₁₄₅P₂₀
global charge	0
mol weight	6326.131
InChIKey	FLERCKPRZHAVMO-MBGKKEOQSA-N
InChI	InChI=1S/C210H274N42O145P20/c1-85-43-232(190(276)211-169(85)255)148-22-106(254)128(358-148)65-337-398(297,298)379-108-24-150(234-45-87(3)171(257)213-192(234)278)360-130(108)67-339-400(301,302)381-110-26-152(236-47-89(5)173(259)215-194(236)280)362-132(110)69-341-402(305,306)383-112-28-154(238-49-91(7)175(261)217-196(238)282)364-134(112)71-343-404(309,310)385-114-30-156(240-51-93(9)177(263)219-198(240)284)366-136(114)73-345-406(313,314)387-116-32-158(242-53-95(11)179(265)221-200(242)286)368-138(116)75-347-408(317,318)389-118-34-160(244-55-97(13)181(267)223-202(244)288)370-140(118)77-349-410(321,322)391-120-36-162(246-57-99(15)183(269)225-204(246)290)372-142(120)79-351-412(325,326)393-122-38-164(248-59-101(17)185(271)227-206(248)292)374-144(122)81-353-414(329,330)395-124-40-166(250-61-103(19)187(273)229-208(250)294)376-146(124)83-355-416(333,334)397-126-42-168(252-63-105(21)189(275)231-210(252)296)377-147(126)84-356-417(335,336)396-125-41-167(251-62-104(20)188(274)230-209(251)295)375-145(125)82-354-415(331,332)394-123-39-165(249-60-102(18)186(272)228-207(249)293)373-143(123)80-352-413(327,328)392-121-37-163(247-58-100(16)184(270)226-205(247)291)371-141(121)78-350-411(323,324)390-119-35-161(245-56-98(14)182(268)224-203(245)289)369-139(119)76-348-409(319,320)388-117-33-159(243-54-96(12)180(266)222-201(243)287)367-137(117)74-346-407(315,316)386-115-31-157(241-52-94(10)178(264)220-199(241)285)365-135(115)72-344-405(311,312)384-113-29-155(239-50-92(8)176(262)218-197(239)283)363-133(113)70-342-403(307,308)382-111-27-153(237-48-90(6)174(260)216-195(237)281)361-131(111)68-340-401(303,304)380-109-25-151(235-46-88(4)172(258)214-193(235)279)359-129(109)66-338-399(299,300)378-107-23-149(357-127(107)64-253)233-44-86(2)170(256)212-191(233)277/h43-63,106-168,253-254H,22-42,64-84H2,1-21H3,(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,211,255,276)(H,212,256,277)(H,213,257,278)(H,214,258,279)(H,215,259,280)(H,216,260,281)(H,217,261,282)(H,218,262,283)(H,219,263,284)(H,220,264,285)(H,221,265,286)(H,222,266,287)(H,223,267,288)(H,224,268,289)(H,225,269,290)(H,226,270,291)(H,227,271,292)(H,228,272,293)(H,229,273,294)(H,230,274,295)(H,231,275,296)/t106-,107-,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+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+/m0/s1
SMILES	CC1=CN([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3O)[C@@H](CO)O2)C(=O)NC1=O

MNX internals

InChI (mnx)	InChI=1/C210H274N42O145P20/c1-85-43-232(190(276)211-169(85)255)148-22-106(254)128(358-148)65-337-398(297,298)379-108-24-150(234-45-87(3)171(257)213-192(234)278)360-130(108)67-339-400(301,302)381-110-26-152(236-47-89(5)173(259)215-194(236)280)362-132(110)69-341-402(305,306)383-112-28-154(238-49-91(7)175(261)217-196(238)282)364-134(112)71-343-404(309,310)385-114-30-156(240-51-93(9)177(263)219-198(240)284)366-136(114)73-345-406(313,314)387-116-32-158(242-53-95(11)179(265)221-200(242)286)368-138(116)75-347-408(317,318)389-118-34-160(244-55-97(13)181(267)223-202(244)288)370-140(118)77-349-410(321,322)391-120-36-162(246-57-99(15)183(269)225-204(246)290)372-142(120)79-351-412(325,326)393-122-38-164(248-59-101(17)185(271)227-206(248)292)374-144(122)81-353-414(329,330)395-124-40-166(250-61-103(19)187(273)229-208(250)294)376-146(124)83-355-416(333,334)397-126-42-168(252-63-105(21)189(275)231-210(252)296)377-147(126)84-356-417(335,336)396-125-41-167(251-62-104(20)188(274)230-209(251)295)375-145(125)82-354-415(331,332)394-123-39-165(249-60-102(18)186(272)228-207(249)293)373-143(123)80-352-413(327,328)392-121-37-163(247-58-100(16)184(270)226-205(247)291)371-141(121)78-350-411(323,324)390-119-35-161(245-56-98(14)182(268)224-203(245)289)369-139(119)76-348-409(319,320)388-117-33-159(243-54-96(12)180(266)222-201(243)287)367-137(117)74-346-407(315,316)386-115-31-157(241-52-94(10)178(264)220-199(241)285)365-135(115)72-344-405(311,312)384-113-29-155(239-50-92(8)176(262)218-197(239)283)363-133(113)70-342-403(307,308)382-111-27-153(237-48-90(6)174(260)216-195(237)281)361-131(111)68-340-401(303,304)380-109-25-151(235-46-88(4)172(258)214-193(235)279)359-129(109)66-338-399(299,300)378-107-23-149(357-127(107)64-253)233-44-86(2)170(256)212-191(233)277/h43-63,106-168,253-254H,22-42,64-84H2,1-21H3,(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,211,255,276)(H,212,256,277)(H,213,257,278)(H,214,258,279)(H,215,259,280)(H,216,260,281)(H,217,261,282)(H,218,262,283)(H,219,263,284)(H,220,264,285)(H,221,265,286)(H,222,266,287)(H,223,267,288)(H,224,268,289)(H,225,269,290)(H,226,270,291)(H,227,271,292)(H,228,272,293)(H,229,273,294)(H,230,274,295)(H,231,275,296)/t106-,107-,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+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+/m0/s1
SMILES (mnx)	[CH3:1][C:85]1=[CH:43][N:232]([C@H:148]2[CH2:22][C@H:106]([OH:254])[C@@H:128]([CH2:65][O:337][P:398]([OH:297])(=[O:298])[O:379][C@H:108]3[CH2:24][C@H:150]([N:234]4[CH:45]=[C:87]([CH3:3])[C:171]([OH:257])=[N:213][C:192]4=[O:278])[O:360][C@@H:130]3[CH2:67][O:339][P:400]([OH:301])(=[O:302])[O:381][C@H:110]3[CH2:26][C@H:152]([N:236]4[CH:47]=[C:89]([CH3:5])[C:173]([OH:259])=[N:215][C:194]4=[O:280])[O:362][C@@H:132]3[CH2:69][O:341][P:402]([OH:305])(=[O:306])[O:383][C@H:112]3[CH2:28][C@H:154]([N:238]4[CH:49]=[C:91]([CH3:7])[C:175]([OH:261])=[N:217][C:196]4=[O:282])[O:364][C@@H:134]3[CH2:71][O:343][P:404]([OH:309])(=[O:310])[O:385][C@H:114]3[CH2:30][C@H:156]([N:240]4[CH:51]=[C:93]([CH3:9])[C:177]([OH:263])=[N:219][C:198]4=[O:284])[O:366][C@@H:136]3[CH2:73][O:345][P:406]([OH:313])(=[O:314])[O:387][C@H:116]3[CH2:32][C@H:158]([N:242]4[CH:53]=[C:95]([CH3:11])[C:179]([OH:265])=[N:221][C:200]4=[O:286])[O:368][C@@H:138]3[CH2:75][O:347][P:408]([OH:317])(=[O:318])[O:389][C@H:118]3[CH2:34][C@H:160]([N:244]4[CH:55]=[C:97]([CH3:13])[C:181]([OH:267])=[N:223][C:202]4=[O:288])[O:370][C@@H:140]3[CH2:77][O:349][P:410]([OH:321])(=[O:322])[O:391][C@H:120]3[CH2:36][C@H:162]([N:246]4[CH:57]=[C:99]([CH3:15])[C:183]([OH:269])=[N:225][C:204]4=[O:290])[O:372][C@@H:142]3[CH2:79][O:351][P:412]([OH:325])(=[O:326])[O:393][C@H:122]3[CH2:38][C@H:164]([N:248]4[CH:59]=[C:101]([CH3:17])[C:185]([OH:271])=[N:227][C:206]4=[O:292])[O:374][C@@H:144]3[CH2:81][O:353][P:414]([OH:329])(=[O:330])[O:395][C@H:124]3[CH2:40][C@H:166]([N:250]4[CH:61]=[C:103]([CH3:19])[C:187]([OH:273])=[N:229][C:208]4=[O:294])[O:376][C@@H:146]3[CH2:83][O:355][P:416]([OH:333])(=[O:334])[O:397][C@H:126]3[CH2:42][C@H:168]([N:252]4[CH:63]=[C:105]([CH3:21])[C:189]([OH:275])=[N:231][C:210]4=[O:296])[O:377][C@@H:147]3[CH2:84][O:356][P:417]([OH:335])(=[O:336])[O:396][C@H:125]3[CH2:41][C@H:167]([N:251]4[CH:62]=[C:104]([CH3:20])[C:188]([OH:274])=[N:230][C:209]4=[O:295])[O:375][C@@H:145]3[CH2:82][O:354][P:415]([OH:331])(=[O:332])[O:394][C@H:123]3[CH2:39][C@H:165]([N:249]4[CH:60]=[C:102]([CH3:18])[C:186]([OH:272])=[N:228][C:207]4=[O:293])[O:373][C@@H:143]3[CH2:80][O:352][P:413]([OH:327])(=[O:328])[O:392][C@H:121]3[CH2:37][C@H:163]([N:247]4[CH:58]=[C:100]([CH3:16])[C:184]([OH:270])=[N:226][C:205]4=[O:291])[O:371][C@@H:141]3[CH2:78][O:350][P:411]([OH:323])(=[O:324])[O:390][C@H:119]3[CH2:35][C@H:161]([N:245]4[CH:56]=[C:98]([CH3:14])[C:182]([OH:268])=[N:224][C:203]4=[O:289])[O:369][C@@H:139]3[CH2:76][O:348][P:409]([OH:319])(=[O:320])[O:388][C@H:117]3[CH2:33][C@H:159]([N:243]4[CH:54]=[C:96]([CH3:12])[C:180]([OH:266])=[N:222][C:201]4=[O:287])[O:367][C@@H:137]3[CH2:74][O:346][P:407]([OH:315])(=[O:316])[O:386][C@H:115]3[CH2:31][C@H:157]([N:241]4[CH:52]=[C:94]([CH3:10])[C:178]([OH:264])=[N:220][C:199]4=[O:285])[O:365][C@@H:135]3[CH2:72][O:344][P:405]([OH:311])(=[O:312])[O:384][C@H:113]3[CH2:29][C@H:155]([N:239]4[CH:50]=[C:92]([CH3:8])[C:176]([OH:262])=[N:218][C:197]4=[O:283])[O:363][C@@H:133]3[CH2:70][O:342][P:403]([OH:307])(=[O:308])[O:382][C@H:111]3[CH2:27][C@H:153]([N:237]4[CH:48]=[C:90]([CH3:6])[C:174]([OH:260])=[N:216][C:195]4=[O:281])[O:361][C@@H:131]3[CH2:68][O:340][P:401]([OH:303])(=[O:304])[O:380][C@H:109]3[CH2:25][C@H:151]([N:235]4[CH:46]=[C:88]([CH3:4])[C:172]([OH:258])=[N:214][C:193]4=[O:279])[O:359][C@@H:129]3[CH2:66][O:338][P:399]([OH:299])(=[O:300])[O:378][C@H:107]3[CH2:23][C@H:149]([N:233]4[CH:44]=[C:86]([CH3:2])[C:170]([OH:256])=[N:212][C:191]4=[O:277])[O:357][C@@H:127]3[CH2:64][OH:253])[O:358]2)[C:190](=[O:276])[N:211]=[C:169]1[OH:255]

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
Identifier	Description
CHEBI:75682 chebi:75682 FLERCKPRZHAVMO-MBGKKEOQSA-N	dT21 5'-T21-3' 5'-TTTTTTTTTTTTTTTTTTTTT-3' 5'-d(tptptptptptptptptptptptptptptptptptptptp*t)-3' 5'-d(TTTTTTTTTTTTTTTTTTTTT)-3' DNA T21 T21 TpTpTpTpTpTpTpTpTpTpTpTpTpTpTpTpTpTpTpTpT d(T)21 d(Tp)20T docosathymidylate p(dT)21 single-stranded dT21