| Properties | Image |
|---|
| MNX_ID | MNXM1371357 |
 |
| reference | metacycM:CPD0-2280 |
| formula | C157H255N3O82P2 |
| global charge | -2 |
| mol weight | 3558.654 |
| InChIKey | MAEXVFVVTLQJBE-XTNNQTBCSA-L |
| InChI | InChI=1S/C157H257N3O82P2/c1-66(2)32-22-33-67(3)34-23-35-68(4)36-24-37-69(5)38-25-39-70(6)40-26-41-71(7)42-27-43-72(8)44-28-45-73(9)46-29-47-74(10)48-30-49-75(11)50-31-51-76(12)52-53-214-243(204,205)242-244(206,207)241-145-100(160-82(18)169)134(112(187)97(226-145)65-210-148-122(197)115(190)106(181)91(59-166)223-148)235-157-142(220-85(21)172)137(103(178)79(15)217-157)238-152-125(200)118(193)109(184)94(229-152)62-213-154-139(128(203)131(232-154)88(175)56-163)240-144-99(159-81(17)168)133(111(186)96(225-144)64-209-147-121(196)114(189)105(180)90(58-165)222-147)234-156-141(219-84(20)171)136(102(177)78(14)216-156)237-151-124(199)117(192)108(183)93(228-151)61-212-153-138(127(202)130(231-153)87(174)55-162)239-143-98(158-80(16)167)132(110(185)95(224-143)63-208-146-120(195)113(188)104(179)89(57-164)221-146)233-155-140(218-83(19)170)135(101(176)77(13)215-155)236-150-123(198)116(191)107(182)92(227-150)60-211-149-126(201)119(194)129(230-149)86(173)54-161/h32,34,36,38,40,42,44,46,48,50,52,77-79,86-157,161-166,173-203H,22-31,33,35,37,39,41,43,45,47,49,51,53-65H2,1-21H3,(H,158,167)(H,159,168)(H,160,169)(H,204,205)(H,206,207)/p-2/b67-34+,68-36+,69-38-,70-40-,71-42-,72-44-,73-46-,74-48-,75-50-,76-52+/t77-,78-,79-,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-,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-/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](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/C157H257N3O82P2/c1-66(2)32-22-33-67(3)34-23-35-68(4)36-24-37-69(5)38-25-39-70(6)40-26-41-71(7)42-27-43-72(8)44-28-45-73(9)46-29-47-74(10)48-30-49-75(11)50-31-51-76(12)52-53-214-243(204,205)242-244(206,207)241-145-100(160-82(18)169)134(112(187)97(226-145)65-210-148-122(197)115(190)106(181)91(59-166)223-148)235-157-142(220-85(21)172)137(103(178)79(15)217-157)238-152-125(200)118(193)109(184)94(229-152)62-213-154-139(128(203)131(232-154)88(175)56-163)240-144-99(159-81(17)168)133(111(186)96(225-144)64-209-147-121(196)114(189)105(180)90(58-165)222-147)234-156-141(219-84(20)171)136(102(177)78(14)216-156)237-151-124(199)117(192)108(183)93(228-151)61-212-153-138(127(202)130(231-153)87(174)55-162)239-143-98(158-80(16)167)132(110(185)95(224-143)63-208-146-120(195)113(188)104(179)89(57-164)221-146)233-155-140(218-83(19)170)135(101(176)77(13)215-155)236-150-123(198)116(191)107(182)92(227-150)60-211-149-126(201)119(194)129(230-149)86(173)54-161/h32,34,36,38,40,42,44,46,48,50,52,77-79,86-157,161-166,173-203H,22-31,33,35,37,39,41,43,45,47,49,51,53-65H2,1-21H3,(H,158,167)(H,159,168)(H,160,169)(H,204,205)(H,206,207)/b67-34+,68-36+,69-38-,70-40-,71-42-,72-44-,73-46-,74-48-,75-50-,76-52+/t77-,78-,79-,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-,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-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:66]([CH3:2])=[CH:32][CH2:22][CH2:33]/[C:67]([CH3:3])=[CH:34]/[CH2:23][CH2:35]/[C:68]([CH3:4])=[CH:36]/[CH2:24][CH2:37]/[C:69]([CH3:5])=[CH:38]\[CH2:25][CH2:39]/[C:70]([CH3:6])=[CH:40]\[CH2:26][CH2:41]/[C:71]([CH3:7])=[CH:42]\[CH2:27][CH2:43]/[C:72]([CH3:8])=[CH:44]\[CH2:28][CH2:45]/[C:73]([CH3:9])=[CH:46]\[CH2:29][CH2:47]/[C:74]([CH3:10])=[CH:48]\[CH2:30][CH2:49]/[C:75]([CH3:11])=[CH:50]\[CH2:31][CH2:51]/[C:76]([CH3:12])=[CH:52]/[CH2:53][O:214][P:243]([OH:204])(=[O:205])[O:242][P:244]([OH:206])(=[O:207])[O:241][C@@H:145]1[C@H:100]([N:160]=[C:82]([CH3:18])[OH:169])[C@@H:134]([O:235][C@H:157]2[C@H:142]([O:220][C:85]([CH3:21])=[O:172])[C@H:137]([O:238][C@@H:152]3[C@H:125]([OH:200])[C@@H:118]([OH:193])[C@H:109]([OH:184])[C@@H:94]([CH2:62][O:213][C@H:154]4[C@H:139]([O:240][C@@H:144]5[C@H:99]([N:159]=[C:81]([CH3:17])[OH:168])[C@@H:133]([O:234][C@H:156]6[C@H:141]([O:219][C:84]([CH3:20])=[O:171])[C@H:136]([O:237][C@@H:151]7[C@H:124]([OH:199])[C@@H:117]([OH:192])[C@H:108]([OH:183])[C@@H:93]([CH2:61][O:212][C@H:153]8[C@H:138]([O:239][C@@H:143]9[C@H:98]([N:158]=[C:80]([CH3:16])[OH:167])[C@@H:132]([O:233][C@H:155]%10[C@H:140]([O:218][C:83]([CH3:19])=[O:170])[C@H:135]([O:236][C@@H:150]%11[C@H:123]([OH:198])[C@@H:116]([OH:191])[C@H:107]([OH:182])[C@@H:92]([CH2:60][O:211][C@H:149]%12[C@H:126]([OH:201])[C@@H:119]([OH:194])[C@H:129]([C@@H:86]([CH2:54][OH:161])[OH:173])[O:230]%12)[O:227]%11)[C@@H:101]([OH:176])[C@H:77]([CH3:13])[O:215]%10)[C@H:110]([OH:185])[C@@H:95]([CH2:63][O:208][C@@H:146]%10[C@H:120]([OH:195])[C@@H:113]([OH:188])[C@H:104]([OH:179])[C@@H:89]([CH2:57][OH:164])[O:221]%10)[O:224]9)[C@@H:127]([OH:202])[C@H:130]([C@@H:87]([CH2:55][OH:162])[OH:174])[O:231]8)[O:228]7)[C@@H:102]([OH:177])[C@H:78]([CH3:14])[O:216]6)[C@H:111]([OH:186])[C@@H:96]([CH2:64][O:209][C@@H:147]6[C@H:121]([OH:196])[C@@H:114]([OH:189])[C@H:105]([OH:180])[C@@H:90]([CH2:58][OH:165])[O:222]6)[O:225]5)[C@@H:128]([OH:203])[C@H:131]([C@@H:88]([CH2:56][OH:163])[OH:175])[O:232]4)[O:229]3)[C@@H:103]([OH:178])[C@H:79]([CH3:15])[O:217]2)[C@H:112]([OH:187])[C@@H:97]([CH2:65][O:210][C@@H:148]2[C@H:122]([OH:197])[C@@H:115]([OH:190])[C@H:106]([OH:181])[C@@H:91]([CH2:59][OH:166])[O:223]2)[O:226]1 |
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