| Properties | Image |
|---|
| MNX_ID | MNXM1370958 |
 |
| reference | metacycM:CPD-5168 |
| formula | C150H248N2O62P2 |
| global charge | -2 |
| mol weight | 3133.534 |
| InChIKey | JECWIAQBRVYUQC-CUYCUERUSA-L |
| InChI | InChI=1S/C150H250N2O62P2/c1-78(2)35-20-36-79(3)37-21-38-80(4)39-22-40-81(5)41-23-42-82(6)43-24-44-83(7)45-25-46-84(8)47-26-48-85(9)49-27-50-86(10)51-28-52-87(11)53-29-54-88(12)55-30-56-89(13)57-31-58-90(14)59-32-60-91(15)61-33-62-92(16)63-34-64-93(17)65-66-193-215(187,188)214-216(189,190)213-141-108(152-95(19)163)119(174)132(104(75-161)202-141)205-140-107(151-94(18)162)118(173)133(103(74-160)201-140)206-146-131(186)135(208-149-139(126(181)115(170)101(72-158)199-149)212-150-138(125(180)114(169)102(73-159)200-150)211-145-129(184)122(177)111(166)98(69-155)196-145)117(172)106(204-146)76-191-142-130(185)134(207-148-137(124(179)113(168)100(71-157)198-148)210-144-128(183)121(176)110(165)97(68-154)195-144)116(171)105(203-142)77-192-147-136(123(178)112(167)99(70-156)197-147)209-143-127(182)120(175)109(164)96(67-153)194-143/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,93,96-150,153-161,164-186H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-77H2,1-19H3,(H,151,162)(H,152,163)(H,187,188)(H,189,190)/p-2/b79-37+,80-39+,81-41-,82-43-,83-45-,84-47-,85-49-,86-51-,87-53-,88-55-,89-57-,90-59-,91-61-,92-63-/t93?,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-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](OP(=O)([O-])OP(=O)([O-])OCCC(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)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]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[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](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C150H250N2O62P2/c1-78(2)35-20-36-79(3)37-21-38-80(4)39-22-40-81(5)41-23-42-82(6)43-24-44-83(7)45-25-46-84(8)47-26-48-85(9)49-27-50-86(10)51-28-52-87(11)53-29-54-88(12)55-30-56-89(13)57-31-58-90(14)59-32-60-91(15)61-33-62-92(16)63-34-64-93(17)65-66-193-215(187,188)214-216(189,190)213-141-108(152-95(19)163)119(174)132(104(75-161)202-141)205-140-107(151-94(18)162)118(173)133(103(74-160)201-140)206-146-131(186)135(208-149-139(126(181)115(170)101(72-158)199-149)212-150-138(125(180)114(169)102(73-159)200-150)211-145-129(184)122(177)111(166)98(69-155)196-145)117(172)106(204-146)76-191-142-130(185)134(207-148-137(124(179)113(168)100(71-157)198-148)210-144-128(183)121(176)110(165)97(68-154)195-144)116(171)105(203-142)77-192-147-136(123(178)112(167)99(70-156)197-147)209-143-127(182)120(175)109(164)96(67-153)194-143/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,93,96-150,153-161,164-186H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-77H2,1-19H3,(H,151,162)(H,152,163)(H,187,188)(H,189,190)/b79-37+,80-39+,81-41-,82-43-,83-45-,84-47-,85-49-,86-51-,87-53-,88-55-,89-57-,90-59-,91-61-,92-63-/t93?,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-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:78]([CH3:2])=[CH:35][CH2:20][CH2:36]/[C:79]([CH3:3])=[CH:37]/[CH2:21][CH2:38]/[C:80]([CH3:4])=[CH:39]/[CH2:22][CH2:40]/[C:81]([CH3:5])=[CH:41]\[CH2:23][CH2:42]/[C:82]([CH3:6])=[CH:43]\[CH2:24][CH2:44]/[C:83]([CH3:7])=[CH:45]\[CH2:25][CH2:46]/[C:84]([CH3:8])=[CH:47]\[CH2:26][CH2:48]/[C:85]([CH3:9])=[CH:49]\[CH2:27][CH2:50]/[C:86]([CH3:10])=[CH:51]\[CH2:28][CH2:52]/[C:87]([CH3:11])=[CH:53]\[CH2:29][CH2:54]/[C:88]([CH3:12])=[CH:55]\[CH2:30][CH2:56]/[C:89]([CH3:13])=[CH:57]\[CH2:31][CH2:58]/[C:90]([CH3:14])=[CH:59]\[CH2:32][CH2:60]/[C:91]([CH3:15])=[CH:61]\[CH2:33][CH2:62]/[C:92]([CH3:16])=[CH:63]\[CH2:34][CH2:64][CH:93]([CH3:17])[CH2:65][CH2:66][O:193][P:215]([OH:187])(=[O:188])[O:214][P:216]([OH:189])(=[O:190])[O:213][C@@H:141]1[C@H:108]([N:152]=[C:95]([CH3:19])[OH:163])[C@@H:119]([OH:174])[C@H:132]([O:205][C@H:140]2[C@H:107]([N:151]=[C:94]([CH3:18])[OH:162])[C@@H:118]([OH:173])[C@H:133]([O:206][C@H:146]3[C@@H:131]([OH:186])[C@@H:135]([O:208][C@@H:149]4[C@@H:139]([O:212][C@@H:150]5[C@@H:138]([O:211][C@@H:145]6[C@@H:129]([OH:184])[C@@H:122]([OH:177])[C@H:111]([OH:166])[C@@H:98]([CH2:69][OH:155])[O:196]6)[C@@H:125]([OH:180])[C@H:114]([OH:169])[C@@H:102]([CH2:73][OH:159])[O:200]5)[C@@H:126]([OH:181])[C@H:115]([OH:170])[C@@H:101]([CH2:72][OH:158])[O:199]4)[C@H:117]([OH:172])[C@@H:106]([CH2:76][O:191][C@@H:142]4[C@@H:130]([OH:185])[C@@H:134]([O:207][C@@H:148]5[C@@H:137]([O:210][C@@H:144]6[C@@H:128]([OH:183])[C@@H:121]([OH:176])[C@H:110]([OH:165])[C@@H:97]([CH2:68][OH:154])[O:195]6)[C@@H:124]([OH:179])[C@H:113]([OH:168])[C@@H:100]([CH2:71][OH:157])[O:198]5)[C@H:116]([OH:171])[C@@H:105]([CH2:77][O:192][C@@H:147]5[C@@H:136]([O:209][C@@H:143]6[C@@H:127]([OH:182])[C@@H:120]([OH:175])[C@H:109]([OH:164])[C@@H:96]([CH2:67][OH:153])[O:194]6)[C@@H:123]([OH:178])[C@H:112]([OH:167])[C@@H:99]([CH2:70][OH:156])[O:197]5)[O:203]4)[O:204]3)[C@@H:103]([CH2:74][OH:160])[O:201]2)[C@@H:104]([CH2:75][OH:161])[O:202]1 |
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