| Properties | Image |
|---|
| MNX_ID | MNXM524764 |
 |
| reference | slm:000486051 |
| formula | C104H172N6O55 |
| global charge | -4 |
| mol weight | 2386.507 |
| InChIKey | SSAGQXCZSSZMKY-OPVQFIFSSA-J |
| InChI | InChI=1S/C104H176N6O55/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-55(123)54(110-68(131)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)47-150-94-81(139)80(138)84(65(45-116)153-94)156-96-83(141)92(165-104(100(148)149)39-59(127)72(108-52(6)121)90(163-104)78(136)64(44-115)159-102(98(144)145)37-57(125)70(106-50(4)119)88(161-102)75(133)61(129)41-112)85(66(46-117)154-96)157-93-73(109-53(7)122)86(79(137)67(155-93)48-151-101(97(142)143)36-56(124)69(105-49(3)118)87(160-101)74(132)60(128)40-111)158-95-82(140)91(77(135)63(43-114)152-95)164-103(99(146)147)38-58(126)71(107-51(5)120)89(162-103)76(134)62(130)42-113/h25,27,32,34,54-67,69-96,111-117,123-130,132-141H,8-24,26,28-31,33,35-48H2,1-7H3,(H,105,118)(H,106,119)(H,107,120)(H,108,121)(H,109,122)(H,110,131)(H,142,143)(H,144,145)(H,146,147)(H,148,149)/p-4/b27-25-,34-32+/t54-,55+,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78+,79-,80+,81+,82+,83+,84+,85-,86+,87+,88+,89+,90+,91-,92+,93-,94+,95-,96-,101+,102+,103-,104-/m0/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C104H176N6O55/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-55(123)54(110-68(131)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)47-150-94-81(139)80(138)84(65(45-116)153-94)156-96-83(141)92(165-104(100(148)149)39-59(127)72(108-52(6)121)90(163-104)78(136)64(44-115)159-102(98(144)145)37-57(125)70(106-50(4)119)88(161-102)75(133)61(129)41-112)85(66(46-117)154-96)157-93-73(109-53(7)122)86(79(137)67(155-93)48-151-101(97(142)143)36-56(124)69(105-49(3)118)87(160-101)74(132)60(128)40-111)158-95-82(140)91(77(135)63(43-114)152-95)164-103(99(146)147)38-58(126)71(107-51(5)120)89(162-103)76(134)62(130)42-113/h25,27,32,34,54-67,69-96,111-117,123-130,132-141H,8-24,26,28-31,33,35-48H2,1-7H3,(H,105,118)(H,106,119)(H,107,120)(H,108,121)(H,109,122)(H,110,131)(H,142,143)(H,144,145)(H,146,147)(H,148,149)/b27-25-,34-32+/t54-,55+,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78+,79-,80+,81+,82+,83+,84+,85-,86+,87+,88+,89+,90+,91-,92+,93-,94+,95-,96-,101+,102+,103-,104-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30]/[CH:32]=[CH:34]/[C@H:55]([C@H:54]([CH2:47][O:150][C@H:94]1[C@H:81]([OH:139])[C@@H:80]([OH:138])[C@H:84]([O:156][C@H:96]2[C@H:83]([OH:141])[C@@H:92]([O:165][C@:104]3([C:100](=[O:148])[OH:149])[CH2:39][C@H:59]([OH:127])[C@@H:72]([N:108]=[C:52]([CH3:6])[OH:121])[C@H:90]([C@@H:78]([C@@H:64]([CH2:44][OH:115])[O:159][C@:102]4([C:98](=[O:144])[OH:145])[CH2:37][C@H:57]([OH:125])[C@@H:70]([N:106]=[C:50]([CH3:4])[OH:119])[C@H:88]([C@@H:75]([C@@H:61]([CH2:41][OH:112])[OH:129])[OH:133])[O:161]4)[OH:136])[O:163]3)[C@@H:85]([O:157][C@H:93]3[C@H:73]([N:109]=[C:53]([CH3:7])[OH:122])[C@@H:86]([O:158][C@H:95]4[C@H:82]([OH:140])[C@@H:91]([O:164][C@:103]5([C:99](=[O:146])[OH:147])[CH2:38][C@H:58]([OH:126])[C@@H:71]([N:107]=[C:51]([CH3:5])[OH:120])[C@H:89]([C@@H:76]([C@@H:62]([CH2:42][OH:113])[OH:130])[OH:134])[O:162]5)[C@@H:77]([OH:135])[C@@H:63]([CH2:43][OH:114])[O:152]4)[C@@H:79]([OH:137])[C@@H:67]([CH2:48][O:151][C@:101]4([C:97](=[O:142])[OH:143])[CH2:36][C@H:56]([OH:124])[C@@H:69]([N:105]=[C:49]([CH3:3])[OH:118])[C@H:87]([C@@H:74]([C@@H:60]([CH2:40][OH:111])[OH:128])[OH:132])[O:160]4)[O:155]3)[C@@H:66]([CH2:46][OH:117])[O:154]2)[C@@H:65]([CH2:45][OH:116])[O:153]1)[N:110]=[C:68]([CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:25]\[CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:131])[OH:123] |
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