| Properties | Image |
|---|
| MNX_ID | MNXM1366192 |
 |
| reference | metacycM:CPD-12060 |
| formula | C259H426NO178P2 |
| global charge | -3 |
| mol weight | 6464.034 |
| InChIKey | CORNZXNIJCUBPK-UAPMYHOKSA-K |
| InChI | InChI=1S/C259H429NO178P2/c1-14-77(2)24-15-25-78(3)26-16-27-79(4)28-17-29-80(5)30-18-31-81(6)32-19-33-82(7)34-20-35-83(8)36-21-37-84(9)38-22-39-85(10)40-23-41-86(11)62-381-439(363,364)438-440(365,366)437-225-123(260-88(13)281)127(297)206(104(46-265)386-225)432-240-176(346)128(298)193(87(12)382-240)405-259-192(362)155(325)221(433-259)119(61-280)398-255-188(358)140(310)205(417-255)100(293)73-377-236-172(342)151(321)217(428-236)116(58-277)399-256-189(359)156(326)222(434-256)121(403-242-160(330)125(295)102(44-263)384-242)75-379-238-174(344)153(323)219(430-238)118(60-279)401-258-191(361)158(328)224(436-258)122(404-243-161(331)126(296)103(45-264)385-243)76-380-239-175(345)154(324)220(431-239)117(59-278)400-257-190(360)157(327)223(435-257)120(402-241-159(329)124(294)101(43-262)383-241)74-378-237-173(343)152(322)218(429-237)115(57-276)397-254-187(357)139(309)204(416-254)99(292)72-376-235-171(341)150(320)216(427-235)114(56-275)396-253-186(356)138(308)203(415-253)98(291)71-375-234-170(340)149(319)215(426-234)113(55-274)395-252-185(355)137(307)202(414-252)97(290)70-374-233-169(339)148(318)214(425-233)112(54-273)394-251-184(354)136(306)201(413-251)96(289)69-373-232-168(338)147(317)213(424-232)111(53-272)393-250-183(353)135(305)200(412-250)95(288)68-372-231-167(337)146(316)212(423-231)110(52-271)392-249-182(352)134(304)199(411-249)94(287)67-371-230-166(336)145(315)211(422-230)109(51-270)391-248-181(351)133(303)198(410-248)93(286)66-370-229-165(335)144(314)210(421-229)108(50-269)390-247-180(350)132(302)197(409-247)92(285)65-369-228-164(334)143(313)209(420-228)107(49-268)389-246-179(349)131(301)196(408-246)91(284)64-368-227-163(333)142(312)208(419-227)106(48-267)388-245-178(348)130(300)195(407-245)90(283)63-367-226-162(332)141(311)207(418-226)105(47-266)387-244-177(347)129(299)194(406-244)89(282)42-261/h14,25,27,29,31,33,35,37,39,41,87,89-185,187-252,254-259,261-280,282-362H,15-24,26,28,30,32,34,36,38,40,42-76H2,1-13H3,(H,260,281)(H,363,364)(H,365,366)/p-3/b77-14-,78-25-,79-27-,80-29-,81-31-,82-33-,83-35-,84-37-,85-39+,86-41+/t87-,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+,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+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,187+,188+,189+,190+,191+,192+,193-,194?,195?,196?,197?,198?,199?,200?,201?,202?,203?,204?,205?,206+,207?,208?,209?,210?,211?,212?,213?,214?,215?,216?,217?,218?,219?,220?,221?,222?,223?,224?,225-,226+,227+,228+,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,240-,241?,242?,243?,244+,245+,246+,247+,248+,249+,250+,251+,252+,254+,255+,256+,257+,258+,259+/m0/s1 |
| SMILES | C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)COP(=O)([O-])OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC([C@@H](CO)O[C@@H]4OC([C@H](O)CO[C@@H]5OC([C@@H](CO)O[C@@H]6OC([C@@H](CO[C@@H]7OC([C@@H](CO)O[C@@H]8OC([C@@H](CO[C@@H]9OC([C@@H](CO)O[C@@H]%10OC([C@@H](CO[C@@H]%11OC([C@@H](CO)O[C@@H]%12OC([C@H](O)CO[C@@H]%13OC([C@@H](CO)OC%14=C([O-])[C@@H](O)C([C@H](O)CO[C@@H]%15OC([C@@H](CO)O[C@@H]%16OC([C@H](O)CO[C@@H]%17OC([C@@H](CO)O[C@@H]%18OC([C@H](O)CO[C@@H]%19OC([C@@H](CO)O[C@@H]%20OC([C@H](O)CO[C@@H]%21OC([C@@H](CO)O[C@@H]%22OC([C@H](O)CO[C@@H]%23OC([C@@H](CO)O[C@@H]%24OC([C@H](O)CO[C@@H]%25OC([C@@H](CO)O[C@@H]%26OC([C@H](O)CO[C@@H]%27OC([C@@H](CO)O[C@@H]%28OC([C@H](O)CO[C@@H]%29OC([C@@H](CO)O[C@@H]%30OC([C@H](O)CO[C@@H]%31OC([C@@H](CO)O[C@@H]%32OC([C@H](O)CO)[C@H](O)[C@H]%32O)[C@H](O)[C@H]%31O)[C@H](O)[C@H]%30O)[C@H](O)[C@H]%29O)[C@H](O)[C@H]%28O)[C@H](O)[C@H]%27O)[C@H](O)[C@H]%26O)[C@H](O)[C@H]%25O)[C@H](O)[C@H]%24O)[C@H](O)[C@H]%23O)[C@H](O)[C@H]%22O)[C@H](O)[C@H]%21O)[C@H](O)[C@H]%20O)[C@H](O)[C@H]%19O)[C@H](O)[C@H]%18O)[C@H](O)[C@H]%17O)[C@H](O)[C@H]%16O)[C@H](O)[C@H]%15O)O%14)[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@H](O)[C@H]%11O)OC%11O[C@H](CO)[C@@H](O)[C@@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)OC9O[C@H](CO)[C@@H](O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)OC7O[C@H](CO)[C@@H](O)[C@@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1N=C(C)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C259H429NO178P2/c1-14-77(2)24-15-25-78(3)26-16-27-79(4)28-17-29-80(5)30-18-31-81(6)32-19-33-82(7)34-20-35-83(8)36-21-37-84(9)38-22-39-85(10)40-23-41-86(11)62-381-439(363,364)438-440(365,366)437-225-123(260-88(13)281)127(297)206(104(46-265)386-225)432-240-176(346)128(298)193(87(12)382-240)405-259-192(362)155(325)221(433-259)119(61-280)398-255-188(358)140(310)205(417-255)100(293)73-377-236-172(342)151(321)217(428-236)116(58-277)399-256-189(359)156(326)222(434-256)121(403-242-160(330)125(295)102(44-263)384-242)75-379-238-174(344)153(323)219(430-238)118(60-279)401-258-191(361)158(328)224(436-258)122(404-243-161(331)126(296)103(45-264)385-243)76-380-239-175(345)154(324)220(431-239)117(59-278)400-257-190(360)157(327)223(435-257)120(402-241-159(329)124(294)101(43-262)383-241)74-378-237-173(343)152(322)218(429-237)115(57-276)397-254-187(357)139(309)204(416-254)99(292)72-376-235-171(341)150(320)216(427-235)114(56-275)396-253-186(356)138(308)203(415-253)98(291)71-375-234-170(340)149(319)215(426-234)113(55-274)395-252-185(355)137(307)202(414-252)97(290)70-374-233-169(339)148(318)214(425-233)112(54-273)394-251-184(354)136(306)201(413-251)96(289)69-373-232-168(338)147(317)213(424-232)111(53-272)393-250-183(353)135(305)200(412-250)95(288)68-372-231-167(337)146(316)212(423-231)110(52-271)392-249-182(352)134(304)199(411-249)94(287)67-371-230-166(336)145(315)211(422-230)109(51-270)391-248-181(351)133(303)198(410-248)93(286)66-370-229-165(335)144(314)210(421-229)108(50-269)390-247-180(350)132(302)197(409-247)92(285)65-369-228-164(334)143(313)209(420-228)107(49-268)389-246-179(349)131(301)196(408-246)91(284)64-368-227-163(333)142(312)208(419-227)106(48-267)388-245-178(348)130(300)195(407-245)90(283)63-367-226-162(332)141(311)207(418-226)105(47-266)387-244-177(347)129(299)194(406-244)89(282)42-261/h14,25,27,29,31,33,35,37,39,41,87,89-185,187-252,254-259,261-280,282-362H,15-24,26,28,30,32,34,36,38,40,42-76H2,1-13H3,(H,260,281)(H,363,364)(H,365,366)/b77-14-,78-25-,79-27-,80-29-,81-31-,82-33-,83-35-,84-37-,85-39+,86-41+/t87-,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+,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+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,187+,188+,189+,190+,191+,192+,193-,194?,195?,196?,197?,198?,199?,200?,201?,202?,203?,204?,205?,206+,207?,208?,209?,210?,211?,212?,213?,214?,215?,216?,217?,218?,219?,220?,221?,222?,223?,224?,225-,226+,227+,228+,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,240-,241?,242?,243?,244+,245+,246+,247+,248+,249+,250+,251+,252+,254+,255+,256+,257+,258+,259+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:14]=[C:77](/[CH3:2])[CH2:24][CH2:15]/[CH:25]=[C:78](/[CH3:3])[CH2:26][CH2:16]/[CH:27]=[C:79](/[CH3:4])[CH2:28][CH2:17]/[CH:29]=[C:80](/[CH3:5])[CH2:30][CH2:18]/[CH:31]=[C:81](/[CH3:6])[CH2:32][CH2:19]/[CH:33]=[C:82](/[CH3:7])[CH2:34][CH2:20]/[CH:35]=[C:83](/[CH3:8])[CH2:36][CH2:21]/[CH:37]=[C:84](/[CH3:9])[CH2:38][CH2:22]/[CH:39]=[C:85](\[CH3:10])[CH2:40][CH2:23]/[CH:41]=[C:86](\[CH3:11])[CH2:62][O:381][P:439]([OH:363])(=[O:364])[O:438][P:440]([OH:365])(=[O:366])[O:437][C@H:225]1[C@H:123]([N:260]=[C:88]([CH3:13])[OH:281])[C@@H:127]([OH:297])[C@H:206]([O:432][C@H:240]2[C@H:176]([OH:346])[C@H:128]([OH:298])[C@@H:193]([O:405][C@H:259]3[C@H:192]([OH:362])[C@@H:155]([OH:325])[CH:221]([C@@H:119]([CH2:61][OH:280])[O:398][C@H:255]4[C@H:188]([OH:358])[C@@H:140]([OH:310])[CH:205]([C@@H:100]([CH2:73][O:377][C@H:236]5[C@H:172]([OH:342])[C@@H:151]([OH:321])[CH:217]([C@@H:116]([CH2:58][OH:277])[O:399][C@H:256]6[C@H:189]([OH:359])[C@@H:156]([OH:326])[CH:222]([C@@H:121]([CH2:75][O:379][C@H:238]7[C@H:174]([OH:344])[C@@H:153]([OH:323])[CH:219]([C@@H:118]([CH2:60][OH:279])[O:401][C@H:258]8[C@H:191]([OH:361])[C@@H:158]([OH:328])[CH:224]([C@@H:122]([CH2:76][O:380][C@H:239]9[C@H:175]([OH:345])[C@@H:154]([OH:324])[CH:220]([C@@H:117]([CH2:59][OH:278])[O:400][C@H:257]%10[C@H:190]([OH:360])[C@@H:157]([OH:327])[CH:223]([C@@H:120]([CH2:74][O:378][C@H:237]%11[C@H:173]([OH:343])[C@@H:152]([OH:322])[CH:218]([C@@H:115]([CH2:57][OH:276])[O:397][C@H:254]%12[C@H:187]([OH:357])[C@@H:139]([OH:309])[CH:204]([C@@H:99]([CH2:72][O:376][C@H:235]%13[C@H:171]([OH:341])[C@@H:150]([OH:320])[CH:216]([C@@H:114]([CH2:56][OH:275])[O:396][C:253]%14=[C:186]([OH:356])[C@@H:138]([OH:308])[CH:203]([C@@H:98]([CH2:71][O:375][C@H:234]%15[C@H:170]([OH:340])[C@@H:149]([OH:319])[CH:215]([C@@H:113]([CH2:55][OH:274])[O:395][C@H:252]%16[C@H:185]([OH:355])[C@@H:137]([OH:307])[CH:202]([C@@H:97]([CH2:70][O:374][C@H:233]%17[C@H:169]([OH:339])[C@@H:148]([OH:318])[CH:214]([C@@H:112]([CH2:54][OH:273])[O:394][C@H:251]%18[C@H:184]([OH:354])[C@@H:136]([OH:306])[CH:201]([C@@H:96]([CH2:69][O:373][C@H:232]%19[C@H:168]([OH:338])[C@@H:147]([OH:317])[CH:213]([C@@H:111]([CH2:53][OH:272])[O:393][C@H:250]%20[C@H:183]([OH:353])[C@@H:135]([OH:305])[CH:200]([C@@H:95]([CH2:68][O:372][C@H:231]%21[C@H:167]([OH:337])[C@@H:146]([OH:316])[CH:212]([C@@H:110]([CH2:52][OH:271])[O:392][C@H:249]%22[C@H:182]([OH:352])[C@@H:134]([OH:304])[CH:199]([C@@H:94]([CH2:67][O:371][C@H:230]%23[C@H:166]([OH:336])[C@@H:145]([OH:315])[CH:211]([C@@H:109]([CH2:51][OH:270])[O:391][C@H:248]%24[C@H:181]([OH:351])[C@@H:133]([OH:303])[CH:198]([C@@H:93]([CH2:66][O:370][C@H:229]%25[C@H:165]([OH:335])[C@@H:144]([OH:314])[CH:210]([C@@H:108]([CH2:50][OH:269])[O:390][C@H:247]%26[C@H:180]([OH:350])[C@@H:132]([OH:302])[CH:197]([C@@H:92]([CH2:65][O:369][C@H:228]%27[C@H:164]([OH:334])[C@@H:143]([OH:313])[CH:209]([C@@H:107]([CH2:49][OH:268])[O:389][C@H:246]%28[C@H:179]([OH:349])[C@@H:131]([OH:301])[CH:196]([C@@H:91]([CH2:64][O:368][C@H:227]%29[C@H:163]([OH:333])[C@@H:142]([OH:312])[CH:208]([C@@H:106]([CH2:48][OH:267])[O:388][C@H:245]%30[C@H:178]([OH:348])[C@@H:130]([OH:300])[CH:195]([C@@H:90]([CH2:63][O:367][C@H:226]%31[C@H:162]([OH:332])[C@@H:141]([OH:311])[CH:207]([C@@H:105]([CH2:47][OH:266])[O:387][C@H:244]%32[C@H:177]([OH:347])[C@@H:129]([OH:299])[CH:194]([C@@H:89]([CH2:42][OH:261])[OH:282])[O:406]%32)[O:418]%31)[OH:283])[O:407]%30)[O:419]%29)[OH:284])[O:408]%28)[O:420]%27)[OH:285])[O:409]%26)[O:421]%25)[OH:286])[O:410]%24)[O:422]%23)[OH:287])[O:411]%22)[O:423]%21)[OH:288])[O:412]%20)[O:424]%19)[OH:289])[O:413]%18)[O:425]%17)[OH:290])[O:414]%16)[O:426]%15)[OH:291])[O:415]%14)[O:427]%13)[OH:292])[O:416]%12)[O:429]%11)[O:402][CH:241]%11[C@@H:159]([OH:329])[C@H:124]([OH:294])[C@@H:101]([CH2:43][OH:262])[O:383]%11)[O:435]%10)[O:431]9)[O:404][CH:243]9[C@@H:161]([OH:331])[C@H:126]([OH:296])[C@@H:103]([CH2:45][OH:264])[O:385]9)[O:436]8)[O:430]7)[O:403][CH:242]7[C@@H:160]([OH:330])[C@H:125]([OH:295])[C@@H:102]([CH2:44][OH:263])[O:384]7)[O:434]6)[O:428]5)[OH:293])[O:417]4)[O:433]3)[C@H:87]([CH3:12])[O:382]2)[C@@H:104]([CH2:46][OH:265])[O:386]1 |
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