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

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5'-TCGAGCTGCCTTCAGTCGT-3'

	Properties	Image
MNX_ID	MNXM151301
reference	chebi:76480
formula	C₁₈₄H₂₃₅N₆₅O₁₁₆P₁₈
global charge	0
mol weight	5770.775
InChIKey	JBRHEPISUPVHMC-ZGTQKVOESA-N
InChI	InChI=1S/C184H235N65O116P18/c1-72-38-237(179(269)225-157(72)252)122-19-78(251)98(330-122)45-311-366(275,276)359-92-33-136(245-67-204-143-152(245)215-168(193)220-163(143)258)343-111(92)58-324-372(287,288)354-85-26-128(236-18-12-121(190)214-178(236)268)334-102(85)49-315-375(293,294)356-87-28-131(240-41-75(4)160(255)228-182(240)272)340-108(87)55-321-380(303,304)364-95-36-139(248-70-207-146-155(248)218-171(196)223-166(146)261)347-115(95)62-328-381(305,306)360-90-31-134(243-65-202-141-148(191)198-63-200-150(141)243)341-109(90)56-322-371(285,286)353-84-25-127(235-17-11-120(189)213-177(235)267)333-101(84)48-314-374(291,292)355-86-27-130(239-40-74(3)159(254)227-181(239)271)339-107(86)54-320-376(295,296)357-88-29-132(241-42-76(5)161(256)229-183(241)273)337-105(88)52-318-369(281,282)350-82-23-125(233-15-9-118(187)211-175(233)265)332-100(82)47-313-368(279,280)349-81-22-124(232-14-8-117(186)210-174(232)264)335-103(81)50-316-378(299,300)362-93-34-137(246-68-205-144-153(246)216-169(194)221-164(144)259)345-113(93)60-326-377(297,298)358-89-30-133(242-43-77(6)162(257)230-184(242)274)338-106(89)53-319-370(283,284)351-83-24-126(234-16-10-119(188)212-176(234)266)336-104(83)51-317-379(301,302)363-94-35-138(247-69-206-145-154(247)217-170(195)222-165(145)260)346-114(94)61-327-382(307,308)361-91-32-135(244-66-203-142-149(192)199-64-201-151(142)244)342-110(91)57-323-383(309,310)365-96-37-140(249-71-208-147-156(249)219-172(197)224-167(147)262)344-112(96)59-325-373(289,290)352-80-21-123(231-13-7-116(185)209-173(231)263)331-99(80)46-312-367(277,278)348-79-20-129(329-97(79)44-250)238-39-73(2)158(253)226-180(238)270/h7-18,38-43,63-71,78-115,122-140,250-251H,19-37,44-62H2,1-6H3,(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H2,185,209,263)(H2,186,210,264)(H2,187,211,265)(H2,188,212,266)(H2,189,213,267)(H2,190,214,268)(H2,191,198,200)(H2,192,199,201)(H,225,252,269)(H,226,253,270)(H,227,254,271)(H,228,255,272)(H,229,256,273)(H,230,257,274)(H3,193,215,220,258)(H3,194,216,221,259)(H3,195,217,222,260)(H3,196,218,223,261)(H3,197,219,224,262)/t78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+/m0/s1
SMILES	CC1=CN([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(N)=NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(N)=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=NC5=C4N=C(N)NC5=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(N)=NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(N)=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=CC(N)=NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=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=CC(N)=NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=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/C184H235N65O116P18/c1-72-38-237(179(269)225-157(72)252)122-19-78(251)98(330-122)45-311-366(275,276)359-92-33-136(245-67-204-143-152(245)215-168(193)220-163(143)258)343-111(92)58-324-372(287,288)354-85-26-128(236-18-12-121(190)214-178(236)268)334-102(85)49-315-375(293,294)356-87-28-131(240-41-75(4)160(255)228-182(240)272)340-108(87)55-321-380(303,304)364-95-36-139(248-70-207-146-155(248)218-171(196)223-166(146)261)347-115(95)62-328-381(305,306)360-90-31-134(243-65-202-141-148(191)198-63-200-150(141)243)341-109(90)56-322-371(285,286)353-84-25-127(235-17-11-120(189)213-177(235)267)333-101(84)48-314-374(291,292)355-86-27-130(239-40-74(3)159(254)227-181(239)271)339-107(86)54-320-376(295,296)357-88-29-132(241-42-76(5)161(256)229-183(241)273)337-105(88)52-318-369(281,282)350-82-23-125(233-15-9-118(187)211-175(233)265)332-100(82)47-313-368(279,280)349-81-22-124(232-14-8-117(186)210-174(232)264)335-103(81)50-316-378(299,300)362-93-34-137(246-68-205-144-153(246)216-169(194)221-164(144)259)345-113(93)60-326-377(297,298)358-89-30-133(242-43-77(6)162(257)230-184(242)274)338-106(89)53-319-370(283,284)351-83-24-126(234-16-10-119(188)212-176(234)266)336-104(83)51-317-379(301,302)363-94-35-138(247-69-206-145-154(247)217-170(195)222-165(145)260)346-114(94)61-327-382(307,308)361-91-32-135(244-66-203-142-149(192)199-64-201-151(142)244)342-110(91)57-323-383(309,310)365-96-37-140(249-71-208-147-156(249)219-172(197)224-167(147)262)344-112(96)59-325-373(289,290)352-80-21-123(231-13-7-116(185)209-173(231)263)331-99(80)46-312-367(277,278)348-79-20-129(329-97(79)44-250)238-39-73(2)158(253)226-180(238)270/h7-18,38-43,63-71,78-115,122-140,250-251H,19-37,44-62H2,1-6H3,(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H2,185,209,263)(H2,186,210,264)(H2,187,211,265)(H2,188,212,266)(H2,189,213,267)(H2,190,214,268)(H2,191,198,200)(H2,192,199,201)(H,225,252,269)(H,226,253,270)(H,227,254,271)(H,228,255,272)(H,229,256,273)(H,230,257,274)(H3,193,215,220,258)(H3,194,216,221,259)(H3,195,217,222,260)(H3,196,218,223,261)(H3,197,219,224,262)/t78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+/m0/s1
SMILES (mnx)	[CH3:1][C:72]1=[CH:38][N:237]([C@H:122]2[CH2:19][C@H:78]([OH:251])[C@@H:98]([CH2:45][O:311][P:366]([OH:275])(=[O:276])[O:359][C@H:92]3[CH2:33][C@H:136]([N:245]4[CH:67]=[N:204][C:143]5=[C:152]4[NH:215][C:168](=[NH:193])[N:220]=[C:163]5[OH:258])[O:343][C@@H:111]3[CH2:58][O:324][P:372]([OH:287])(=[O:288])[O:354][C@H:85]3[CH2:26][C@H:128]([N:236]4[CH:18]=[CH:12][C:121](=[NH:190])[N:214]=[C:178]4[OH:268])[O:334][C@@H:102]3[CH2:49][O:315][P:375]([OH:293])(=[O:294])[O:356][C@H:87]3[CH2:28][C@H:131]([N:240]4[CH:41]=[C:75]([CH3:4])[C:160]([OH:255])=[N:228][C:182]4=[O:272])[O:340][C@@H:108]3[CH2:55][O:321][P:380]([OH:303])(=[O:304])[O:364][C@H:95]3[CH2:36][C@H:139]([N:248]4[CH:70]=[N:207][C:146]5=[C:155]4[NH:218][C:171](=[NH:196])[N:223]=[C:166]5[OH:261])[O:347][C@@H:115]3[CH2:62][O:328][P:381]([OH:305])(=[O:306])[O:360][C@H:90]3[CH2:31][C@H:134]([N:243]4[CH:65]=[N:202][C:141]5=[C:148]([NH2:191])[N:198]=[CH:63][N:200]=[C:150]54)[O:341][C@@H:109]3[CH2:56][O:322][P:371]([OH:285])(=[O:286])[O:353][C@H:84]3[CH2:25][C@H:127]([N:235]4[CH:17]=[CH:11][C:120](=[NH:189])[N:213]=[C:177]4[OH:267])[O:333][C@@H:101]3[CH2:48][O:314][P:374]([OH:291])(=[O:292])[O:355][C@H:86]3[CH2:27][C@H:130]([N:239]4[CH:40]=[C:74]([CH3:3])[C:159]([OH:254])=[N:227][C:181]4=[O:271])[O:339][C@@H:107]3[CH2:54][O:320][P:376]([OH:295])(=[O:296])[O:357][C@H:88]3[CH2:29][C@H:132]([N:241]4[CH:42]=[C:76]([CH3:5])[C:161]([OH:256])=[N:229][C:183]4=[O:273])[O:337][C@@H:105]3[CH2:52][O:318][P:369]([OH:281])(=[O:282])[O:350][C@H:82]3[CH2:23][C@H:125]([N:233]4[CH:15]=[CH:9][C:118](=[NH:187])[N:211]=[C:175]4[OH:265])[O:332][C@@H:100]3[CH2:47][O:313][P:368]([OH:279])(=[O:280])[O:349][C@H:81]3[CH2:22][C@H:124]([N:232]4[CH:14]=[CH:8][C:117](=[NH:186])[N:210]=[C:174]4[OH:264])[O:335][C@@H:103]3[CH2:50][O:316][P:378]([OH:299])(=[O:300])[O:362][C@H:93]3[CH2:34][C@H:137]([N:246]4[CH:68]=[N:205][C:144]5=[C:153]4[NH:216][C:169](=[NH:194])[N:221]=[C:164]5[OH:259])[O:345][C@@H:113]3[CH2:60][O:326][P:377]([OH:297])(=[O:298])[O:358][C@H:89]3[CH2:30][C@H:133]([N:242]4[CH:43]=[C:77]([CH3:6])[C:162]([OH:257])=[N:230][C:184]4=[O:274])[O:338][C@@H:106]3[CH2:53][O:319][P:370]([OH:283])(=[O:284])[O:351][C@H:83]3[CH2:24][C@H:126]([N:234]4[CH:16]=[CH:10][C:119](=[NH:188])[N:212]=[C:176]4[OH:266])[O:336][C@@H:104]3[CH2:51][O:317][P:379]([OH:301])(=[O:302])[O:363][C@H:94]3[CH2:35][C@H:138]([N:247]4[CH:69]=[N:206][C:145]5=[C:154]4[NH:217][C:170](=[NH:195])[N:222]=[C:165]5[OH:260])[O:346][C@@H:114]3[CH2:61][O:327][P:382]([OH:307])(=[O:308])[O:361][C@H:91]3[CH2:32][C@H:135]([N:244]4[CH:66]=[N:203][C:142]5=[C:149]([NH2:192])[N:199]=[CH:64][N:201]=[C:151]54)[O:342][C@@H:110]3[CH2:57][O:323][P:383]([OH:309])(=[O:310])[O:365][C@H:96]3[CH2:37][C@H:140]([N:249]4[CH:71]=[N:208][C:147]5=[C:156]4[NH:219][C:172](=[NH:197])[N:224]=[C:167]5[OH:262])[O:344][C@@H:112]3[CH2:59][O:325][P:373]([OH:289])(=[O:290])[O:352][C@H:80]3[CH2:21][C@H:123]([N:231]4[CH:13]=[CH:7][C:116](=[NH:185])[N:209]=[C:173]4[OH:263])[O:331][C@@H:99]3[CH2:46][O:312][P:367]([OH:277])(=[O:278])[O:348][C@H:79]3[CH2:20][C@H:129]([N:238]4[CH:39]=[C:73]([CH3:2])[C:158]([OH:253])=[N:226][C:180]4=[O:270])[O:329][C@@H:97]3[CH2:44][OH:250])[O:330]2)[C:179](=[O:269])[N:225]=[C:157]1[OH:252]

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:76480 chebi:76480 JBRHEPISUPVHMC-ZGTQKVOESA-N	5'-TCGAGCTGCCTTCAGTCGT-3' 5'-TpCpGpApGpCpTpGpCpCpTpTpCpApGpTpCpGpT-3' 5'-d[TCGAGCTGCCTTCAGTCGT]-3' d(T-C-G-A-G-C-T-G-C-C-T-T-C-A-G-T-C-G-T) d(TCGAGCTGCCTTCAGTCGT)