| Properties | Image |
|---|
| MNX_ID | MNXM1137686 |
 |
| reference | metacycM:CPD0-2214 |
| formula | C191H310N4O107P2 |
| global charge | -2 |
| mol weight | 4436.45 |
| InChIKey | RNMNOQBZUYAUDM-XVSOHMJISA-L |
| InChI | InChI=1S/C191H312N4O107P2/c1-73(2)35-25-36-74(3)37-26-38-75(4)39-27-40-76(5)41-28-42-77(6)43-29-44-78(7)45-30-46-79(8)47-31-48-80(9)49-32-50-81(10)51-33-52-82(11)53-34-54-83(12)55-56-265-303(253,254)302-304(255,256)301-175-115(195-91(20)207)160(131(231)111(281-175)72-260-179-144(244)135(235)123(223)103(64-203)277-179)293-191-171(273-95(24)211)164(119(219)87(16)269-191)297-184-148(248)139(239)127(227)107(285-184)68-264-187-167(152(252)156(289-187)99(215)60-199)300-174-114(194-90(19)206)159(130(230)110(280-174)71-259-178-143(243)134(234)122(222)102(63-202)276-178)292-190-170(272-94(23)210)163(118(218)86(15)268-190)296-183-147(247)138(238)126(226)106(284-183)67-263-186-166(151(251)155(288-186)98(214)59-198)299-173-113(193-89(18)205)158(129(229)109(279-173)70-258-177-142(242)133(233)121(221)101(62-201)275-177)291-189-169(271-93(22)209)162(117(217)85(14)267-189)295-182-146(246)137(237)125(225)105(283-182)66-262-185-165(150(250)154(287-185)97(213)58-197)298-172-112(192-88(17)204)157(128(228)108(278-172)69-257-176-141(241)132(232)120(220)100(61-200)274-176)290-188-168(270-92(21)208)161(116(216)84(13)266-188)294-181-145(245)136(236)124(224)104(282-181)65-261-180-149(249)140(240)153(286-180)96(212)57-196/h35,37,39,41,43,45,47,49,51,53,55,84-87,96-191,196-203,212-252H,25-34,36,38,40,42,44,46,48,50,52,54,56-72H2,1-24H3,(H,192,204)(H,193,205)(H,194,206)(H,195,207)(H,253,254)(H,255,256)/p-2/b74-37+,75-39+,76-41-,77-43-,78-45-,79-47-,80-49-,81-51-,82-53-,83-55+/t84-,85-,86-,87-,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+,186+,187+,188-,189-,190-,191-/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/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)CCC=C(C)C)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@H]5O[C@H](CO[C@@H]6O[C@@H]([C@H](O)CO)[C@H](O)[C@H]6O[C@H]6O[C@H](CO[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O[C@H]8O[C@H](CO[C@@H]9O[C@@H]([C@H](O)CO)[C@H](O)[C@H]9O[C@H]9O[C@H](CO[C@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O[C@H]%11O[C@H](CO[C@@H]%12O[C@@H]([C@H](O)CO)[C@H](O)[C@H]%12O)[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10OC(C)=O)[C@H]9NC(C)=O)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7OC(C)=O)[C@H]6NC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4OC(C)=O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C191H312N4O107P2/c1-73(2)35-25-36-74(3)37-26-38-75(4)39-27-40-76(5)41-28-42-77(6)43-29-44-78(7)45-30-46-79(8)47-31-48-80(9)49-32-50-81(10)51-33-52-82(11)53-34-54-83(12)55-56-265-303(253,254)302-304(255,256)301-175-115(195-91(20)207)160(131(231)111(281-175)72-260-179-144(244)135(235)123(223)103(64-203)277-179)293-191-171(273-95(24)211)164(119(219)87(16)269-191)297-184-148(248)139(239)127(227)107(285-184)68-264-187-167(152(252)156(289-187)99(215)60-199)300-174-114(194-90(19)206)159(130(230)110(280-174)71-259-178-143(243)134(234)122(222)102(63-202)276-178)292-190-170(272-94(23)210)163(118(218)86(15)268-190)296-183-147(247)138(238)126(226)106(284-183)67-263-186-166(151(251)155(288-186)98(214)59-198)299-173-113(193-89(18)205)158(129(229)109(279-173)70-258-177-142(242)133(233)121(221)101(62-201)275-177)291-189-169(271-93(22)209)162(117(217)85(14)267-189)295-182-146(246)137(237)125(225)105(283-182)66-262-185-165(150(250)154(287-185)97(213)58-197)298-172-112(192-88(17)204)157(128(228)108(278-172)69-257-176-141(241)132(232)120(220)100(61-200)274-176)290-188-168(270-92(21)208)161(116(216)84(13)266-188)294-181-145(245)136(236)124(224)104(282-181)65-261-180-149(249)140(240)153(286-180)96(212)57-196/h35,37,39,41,43,45,47,49,51,53,55,84-87,96-191,196-203,212-252H,25-34,36,38,40,42,44,46,48,50,52,54,56-72H2,1-24H3,(H,192,204)(H,193,205)(H,194,206)(H,195,207)(H,253,254)(H,255,256)/b74-37+,75-39+,76-41-,77-43-,78-45-,79-47-,80-49-,81-51-,82-53-,83-55+/t84-,85-,86-,87-,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+,186+,187+,188-,189-,190-,191-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:73]([CH3:2])=[CH:35][CH2:25][CH2:36]/[C:74]([CH3:3])=[CH:37]/[CH2:26][CH2:38]/[C:75]([CH3:4])=[CH:39]/[CH2:27][CH2:40]/[C:76]([CH3:5])=[CH:41]\[CH2:28][CH2:42]/[C:77]([CH3:6])=[CH:43]\[CH2:29][CH2:44]/[C:78]([CH3:7])=[CH:45]\[CH2:30][CH2:46]/[C:79]([CH3:8])=[CH:47]\[CH2:31][CH2:48]/[C:80]([CH3:9])=[CH:49]\[CH2:32][CH2:50]/[C:81]([CH3:10])=[CH:51]\[CH2:33][CH2:52]/[C:82]([CH3:11])=[CH:53]\[CH2:34][CH2:54]/[C:83]([CH3:12])=[CH:55]/[CH2:56][O:265][P:303]([OH:253])(=[O:254])[O:302][P:304]([OH:255])(=[O:256])[O:301][C@@H:175]1[C@H:115]([N:195]=[C:91]([CH3:20])[OH:207])[C@@H:160]([O:293][C@H:191]2[C@H:171]([O:273][C:95]([CH3:24])=[O:211])[C@H:164]([O:297][C@@H:184]3[C@H:148]([OH:248])[C@@H:139]([OH:239])[C@H:127]([OH:227])[C@@H:107]([CH2:68][O:264][C@H:187]4[C@H:167]([O:300][C@@H:174]5[C@H:114]([N:194]=[C:90]([CH3:19])[OH:206])[C@@H:159]([O:292][C@H:190]6[C@H:170]([O:272][C:94]([CH3:23])=[O:210])[C@H:163]([O:296][C@@H:183]7[C@H:147]([OH:247])[C@@H:138]([OH:238])[C@H:126]([OH:226])[C@@H:106]([CH2:67][O:263][C@H:186]8[C@H:166]([O:299][C@@H:173]9[C@H:113]([N:193]=[C:89]([CH3:18])[OH:205])[C@@H:158]([O:291][C@H:189]%10[C@H:169]([O:271][C:93]([CH3:22])=[O:209])[C@H:162]([O:295][C@@H:182]%11[C@H:146]([OH:246])[C@@H:137]([OH:237])[C@H:125]([OH:225])[C@@H:105]([CH2:66][O:262][C@H:185]%12[C@H:165]([O:298][C@@H:172]%13[C@H:112]([N:192]=[C:88]([CH3:17])[OH:204])[C@@H:157]([O:290][C@H:188]%14[C@H:168]([O:270][C:92]([CH3:21])=[O:208])[C@H:161]([O:294][C@@H:181]%15[C@H:145]([OH:245])[C@@H:136]([OH:236])[C@H:124]([OH:224])[C@@H:104]([CH2:65][O:261][C@H:180]%16[C@H:149]([OH:249])[C@@H:140]([OH:240])[C@H:153]([C@@H:96]([CH2:57][OH:196])[OH:212])[O:286]%16)[O:282]%15)[C@@H:116]([OH:216])[C@H:84]([CH3:13])[O:266]%14)[C@H:128]([OH:228])[C@@H:108]([CH2:69][O:257][C@@H:176]%14[C@H:141]([OH:241])[C@@H:132]([OH:232])[C@H:120]([OH:220])[C@@H:100]([CH2:61][OH:200])[O:274]%14)[O:278]%13)[C@@H:150]([OH:250])[C@H:154]([C@@H:97]([CH2:58][OH:197])[OH:213])[O:287]%12)[O:283]%11)[C@@H:117]([OH:217])[C@H:85]([CH3:14])[O:267]%10)[C@H:129]([OH:229])[C@@H:109]([CH2:70][O:258][C@@H:177]%10[C@H:142]([OH:242])[C@@H:133]([OH:233])[C@H:121]([OH:221])[C@@H:101]([CH2:62][OH:201])[O:275]%10)[O:279]9)[C@@H:151]([OH:251])[C@H:155]([C@@H:98]([CH2:59][OH:198])[OH:214])[O:288]8)[O:284]7)[C@@H:118]([OH:218])[C@H:86]([CH3:15])[O:268]6)[C@H:130]([OH:230])[C@@H:110]([CH2:71][O:259][C@@H:178]6[C@H:143]([OH:243])[C@@H:134]([OH:234])[C@H:122]([OH:222])[C@@H:102]([CH2:63][OH:202])[O:276]6)[O:280]5)[C@@H:152]([OH:252])[C@H:156]([C@@H:99]([CH2:60][OH:199])[OH:215])[O:289]4)[O:285]3)[C@@H:119]([OH:219])[C@H:87]([CH3:16])[O:269]2)[C@H:131]([OH:231])[C@@H:111]([CH2:72][O:260][C@@H:179]2[C@H:144]([OH:244])[C@@H:135]([OH:235])[C@H:123]([OH:223])[C@@H:103]([CH2:64][OH:203])[O:277]2)[O:281]1 |
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