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

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5'-d[CCCGTCCATAATCACTCG]-3'

	Properties	Image
MNX_ID	MNXM151277
reference	chebi:75156
formula	C₁₇₂H₂₂₁N₆₂O₁₀₆P₁₇
global charge	0
mol weight	5379.546
InChIKey	DWBADAVYVLAMCR-WGZXCTOISA-N
InChI	InChI=1S/C172H221N62O106P17/c1-71-39-225(169(251)213-153(71)237)128-30-84(332-349(271,272)293-46-96-77(23-121(309-96)218-14-6-112(174)202-162(218)244)325-341(255,256)289-44-94-75(236)21-119(307-94)233-69-199-141-151(233)209-159(185)211-157(141)241)102(315-128)52-297-345(263,264)328-80-26-124(221-17-9-115(177)205-165(221)247)314-101(80)51-296-353(279,280)336-88-34-132(229-65-195-137-143(181)187-61-191-147(137)229)319-106(88)56-301-347(267,268)330-83-29-127(224-20-12-118(180)208-168(224)250)313-100(83)50-295-351(275,276)333-85-31-129(226-40-72(2)154(238)214-170(226)252)316-103(85)53-298-355(283,284)338-90-36-134(231-67-197-139-145(183)189-63-193-149(139)231)322-109(90)59-304-357(287,288)339-91-37-135(232-68-198-140-146(184)190-64-194-150(140)232)321-108(91)58-303-352(277,278)335-87-33-131(228-42-74(4)156(240)216-172(228)254)317-104(87)54-299-354(281,282)337-89-35-133(230-66-196-138-144(182)188-62-192-148(138)230)320-107(89)57-302-346(265,266)329-81-27-125(222-18-10-116(178)206-166(222)248)310-97(81)47-292-344(261,262)327-79-25-123(220-16-8-114(176)204-164(220)246)312-99(79)49-294-350(273,274)334-86-32-130(227-41-73(3)155(239)215-171(227)253)318-105(86)55-300-356(285,286)340-92-38-136(234-70-200-142-152(234)210-160(186)212-158(142)242)323-110(92)60-305-348(269,270)331-82-28-126(223-19-11-117(179)207-167(223)249)311-98(82)48-291-343(259,260)326-78-24-122(219-15-7-113(175)203-163(219)245)308-95(78)45-290-342(257,258)324-76-22-120(306-93(76)43-235)217-13-5-111(173)201-161(217)243/h5-20,39-42,61-70,75-110,119-136,235-236H,21-38,43-60H2,1-4H3,(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H2,173,201,243)(H2,174,202,244)(H2,175,203,245)(H2,176,204,246)(H2,177,205,247)(H2,178,206,248)(H2,179,207,249)(H2,180,208,250)(H2,181,187,191)(H2,182,188,192)(H2,183,189,193)(H2,184,190,194)(H,213,237,251)(H,214,238,252)(H,215,239,253)(H,216,240,254)(H3,185,209,211,241)(H3,186,210,212,242)/t75-,76-,77-,78-,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+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+/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]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](N4C=CC(N)=NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=NC5=C(N)N=CN=C54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=CC(N)=NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=C(C)C(=O)NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=NC5=C(N)N=CN=C54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=NC5=C(N)N=CN=C54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=C(C)C(=O)NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=NC5=C(N)N=CN=C54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=CC(N)=NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=CC(N)=NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=C(C)C(=O)NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=NC5=C4N=C(N)NC5=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=CC(N)=NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=CC(N)=NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=CC(N)=NC4=O)O[C@@H]3CO)O2)C(=O)NC1=O

MNX internals

InChI (mnx)	InChI=1/C172H221N62O106P17/c1-71-39-225(169(251)213-153(71)237)128-30-84(332-349(271,272)293-46-96-77(23-121(309-96)218-14-6-112(174)202-162(218)244)325-341(255,256)289-44-94-75(236)21-119(307-94)233-69-199-141-151(233)209-159(185)211-157(141)241)102(315-128)52-297-345(263,264)328-80-26-124(221-17-9-115(177)205-165(221)247)314-101(80)51-296-353(279,280)336-88-34-132(229-65-195-137-143(181)187-61-191-147(137)229)319-106(88)56-301-347(267,268)330-83-29-127(224-20-12-118(180)208-168(224)250)313-100(83)50-295-351(275,276)333-85-31-129(226-40-72(2)154(238)214-170(226)252)316-103(85)53-298-355(283,284)338-90-36-134(231-67-197-139-145(183)189-63-193-149(139)231)322-109(90)59-304-357(287,288)339-91-37-135(232-68-198-140-146(184)190-64-194-150(140)232)321-108(91)58-303-352(277,278)335-87-33-131(228-42-74(4)156(240)216-172(228)254)317-104(87)54-299-354(281,282)337-89-35-133(230-66-196-138-144(182)188-62-192-148(138)230)320-107(89)57-302-346(265,266)329-81-27-125(222-18-10-116(178)206-166(222)248)310-97(81)47-292-344(261,262)327-79-25-123(220-16-8-114(176)204-164(220)246)312-99(79)49-294-350(273,274)334-86-32-130(227-41-73(3)155(239)215-171(227)253)318-105(86)55-300-356(285,286)340-92-38-136(234-70-200-142-152(234)210-160(186)212-158(142)242)323-110(92)60-305-348(269,270)331-82-28-126(223-19-11-117(179)207-167(223)249)311-98(82)48-291-343(259,260)326-78-24-122(219-15-7-113(175)203-163(219)245)308-95(78)45-290-342(257,258)324-76-22-120(306-93(76)43-235)217-13-5-111(173)201-161(217)243/h5-20,39-42,61-70,75-110,119-136,235-236H,21-38,43-60H2,1-4H3,(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H2,173,201,243)(H2,174,202,244)(H2,175,203,245)(H2,176,204,246)(H2,177,205,247)(H2,178,206,248)(H2,179,207,249)(H2,180,208,250)(H2,181,187,191)(H2,182,188,192)(H2,183,189,193)(H2,184,190,194)(H,213,237,251)(H,214,238,252)(H,215,239,253)(H,216,240,254)(H3,185,209,211,241)(H3,186,210,212,242)/t75-,76-,77-,78-,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+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+/m0/s1
SMILES (mnx)	[CH3:1][C:71]1=[CH:39][N:225]([C@H:128]2[CH2:30][C@H:84]([O:332][P:349]([OH:271])(=[O:272])[O:293][CH2:46][C@@H:96]3[C@@H:77]([O:325][P:341]([OH:255])(=[O:256])[O:289][CH2:44][C@@H:94]4[C@@H:75]([OH:236])[CH2:21][C@H:119]([N:233]5[CH:69]=[N:199][C:141]6=[C:151]5[NH:209][C:159](=[NH:185])[N:211]=[C:157]6[OH:241])[O:307]4)[CH2:23][C@H:121]([N:218]4[CH:14]=[CH:6][C:112](=[NH:174])[N:202]=[C:162]4[OH:244])[O:309]3)[C@@H:102]([CH2:52][O:297][P:345]([OH:263])(=[O:264])[O:328][C@H:80]3[CH2:26][C@H:124]([N:221]4[CH:17]=[CH:9][C:115](=[NH:177])[N:205]=[C:165]4[OH:247])[O:314][C@@H:101]3[CH2:51][O:296][P:353]([OH:279])(=[O:280])[O:336][C@H:88]3[CH2:34][C@H:132]([N:229]4[CH:65]=[N:195][C:137]5=[C:143]([NH2:181])[N:187]=[CH:61][N:191]=[C:147]54)[O:319][C@@H:106]3[CH2:56][O:301][P:347]([OH:267])(=[O:268])[O:330][C@H:83]3[CH2:29][C@H:127]([N:224]4[CH:20]=[CH:12][C:118](=[NH:180])[N:208]=[C:168]4[OH:250])[O:313][C@@H:100]3[CH2:50][O:295][P:351]([OH:275])(=[O:276])[O:333][C@H:85]3[CH2:31][C@H:129]([N:226]4[CH:40]=[C:72]([CH3:2])[C:154]([OH:238])=[N:214][C:170]4=[O:252])[O:316][C@@H:103]3[CH2:53][O:298][P:355]([OH:283])(=[O:284])[O:338][C@H:90]3[CH2:36][C@H:134]([N:231]4[CH:67]=[N:197][C:139]5=[C:145]([NH2:183])[N:189]=[CH:63][N:193]=[C:149]54)[O:322][C@@H:109]3[CH2:59][O:304][P:357]([OH:287])(=[O:288])[O:339][C@H:91]3[CH2:37][C@H:135]([N:232]4[CH:68]=[N:198][C:140]5=[C:146]([NH2:184])[N:190]=[CH:64][N:194]=[C:150]54)[O:321][C@@H:108]3[CH2:58][O:303][P:352]([OH:277])(=[O:278])[O:335][C@H:87]3[CH2:33][C@H:131]([N:228]4[CH:42]=[C:74]([CH3:4])[C:156]([OH:240])=[N:216][C:172]4=[O:254])[O:317][C@@H:104]3[CH2:54][O:299][P:354]([OH:281])(=[O:282])[O:337][C@H:89]3[CH2:35][C@H:133]([N:230]4[CH:66]=[N:196][C:138]5=[C:144]([NH2:182])[N:188]=[CH:62][N:192]=[C:148]54)[O:320][C@@H:107]3[CH2:57][O:302][P:346]([OH:265])(=[O:266])[O:329][C@H:81]3[CH2:27][C@H:125]([N:222]4[CH:18]=[CH:10][C:116](=[NH:178])[N:206]=[C:166]4[OH:248])[O:310][C@@H:97]3[CH2:47][O:292][P:344]([OH:261])(=[O:262])[O:327][C@H:79]3[CH2:25][C@H:123]([N:220]4[CH:16]=[CH:8][C:114](=[NH:176])[N:204]=[C:164]4[OH:246])[O:312][C@@H:99]3[CH2:49][O:294][P:350]([OH:273])(=[O:274])[O:334][C@H:86]3[CH2:32][C@H:130]([N:227]4[CH:41]=[C:73]([CH3:3])[C:155]([OH:239])=[N:215][C:171]4=[O:253])[O:318][C@@H:105]3[CH2:55][O:300][P:356]([OH:285])(=[O:286])[O:340][C@H:92]3[CH2:38][C@H:136]([N:234]4[CH:70]=[N:200][C:142]5=[C:152]4[NH:210][C:160](=[NH:186])[N:212]=[C:158]5[OH:242])[O:323][C@@H:110]3[CH2:60][O:305][P:348]([OH:269])(=[O:270])[O:331][C@H:82]3[CH2:28][C@H:126]([N:223]4[CH:19]=[CH:11][C:117](=[NH:179])[N:207]=[C:167]4[OH:249])[O:311][C@@H:98]3[CH2:48][O:291][P:343]([OH:259])(=[O:260])[O:326][C@H:78]3[CH2:24][C@H:122]([N:219]4[CH:15]=[CH:7][C:113](=[NH:175])[N:203]=[C:163]4[OH:245])[O:308][C@@H:95]3[CH2:45][O:290][P:342]([OH:257])(=[O:258])[O:324][C@H:76]3[CH2:22][C@H:120]([N:217]4[CH:13]=[CH:5][C:111](=[NH:173])[N:201]=[C:161]4[OH:243])[O:306][C@@H:93]3[CH2:43][OH:235])[O:315]2)[C:169](=[O:251])[N:213]=[C:153]1[OH:237]

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:75156 chebi:75156 DWBADAVYVLAMCR-WGZXCTOISA-N	5'-d[CCCGTCCATAATCACTCG]-3' 5'-CCCGTCCATAATCACTCG-3' DNA (5'-D(CPCPCPGPTPCPCPAPTPAPAPTPCPAPCPTPCPG)-3')