| Properties | Image |
|---|
| MNX_ID | MNXM524762 |
 |
| reference | slm:000486057 |
| formula | C103H172N6O55 |
| global charge | -4 |
| mol weight | 2374.496 |
| InChIKey | LINUTLCOUXJVDT-URKQGNKLSA-J |
| InChI | InChI=1S/C103H176N6O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-54(122)53(109-67(130)34-32-30-28-26-24-21-19-17-15-13-11-9-2)46-149-93-80(138)79(137)83(64(44-115)152-93)155-95-82(140)91(164-103(99(147)148)38-58(126)71(107-51(6)120)89(162-103)77(135)63(43-114)158-101(97(143)144)36-56(124)69(105-49(4)118)87(160-101)74(132)60(128)40-111)84(65(45-116)153-95)156-92-72(108-52(7)121)85(78(136)66(154-92)47-150-100(96(141)142)35-55(123)68(104-48(3)117)86(159-100)73(131)59(127)39-110)157-94-81(139)90(76(134)62(42-113)151-94)163-102(98(145)146)37-57(125)70(106-50(5)119)88(161-102)75(133)61(129)41-112/h31,33,53-66,68-95,110-116,122-129,131-140H,8-30,32,34-47H2,1-7H3,(H,104,117)(H,105,118)(H,106,119)(H,107,120)(H,108,121)(H,109,130)(H,141,142)(H,143,144)(H,145,146)(H,147,148)/p-4/b33-31+/t53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,68+,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-,100+,101+,102-,103-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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)NC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C103H176N6O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-54(122)53(109-67(130)34-32-30-28-26-24-21-19-17-15-13-11-9-2)46-149-93-80(138)79(137)83(64(44-115)152-93)155-95-82(140)91(164-103(99(147)148)38-58(126)71(107-51(6)120)89(162-103)77(135)63(43-114)158-101(97(143)144)36-56(124)69(105-49(4)118)87(160-101)74(132)60(128)40-111)84(65(45-116)153-95)156-92-72(108-52(7)121)85(78(136)66(154-92)47-150-100(96(141)142)35-55(123)68(104-48(3)117)86(159-100)73(131)59(127)39-110)157-94-81(139)90(76(134)62(42-113)151-94)163-102(98(145)146)37-57(125)70(106-50(5)119)88(161-102)75(133)61(129)41-112/h31,33,53-66,68-95,110-116,122-129,131-140H,8-30,32,34-47H2,1-7H3,(H,104,117)(H,105,118)(H,106,119)(H,107,120)(H,108,121)(H,109,130)(H,141,142)(H,143,144)(H,145,146)(H,147,148)/b33-31+/t53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,68+,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-,100+,101+,102-,103-/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][CH2:23][CH2:25][CH2:27][CH2:29]/[CH:31]=[CH:33]/[C@H:54]([C@H:53]([CH2:46][O:149][C@H:93]1[C@H:80]([OH:138])[C@@H:79]([OH:137])[C@H:83]([O:155][C@H:95]2[C@H:82]([OH:140])[C@@H:91]([O:164][C@:103]3([C:99](=[O:147])[OH:148])[CH2:38][C@H:58]([OH:126])[C@@H:71]([N:107]=[C:51]([CH3:6])[OH:120])[C@H:89]([C@@H:77]([C@@H:63]([CH2:43][OH:114])[O:158][C@:101]4([C:97](=[O:143])[OH:144])[CH2:36][C@H:56]([OH:124])[C@@H:69]([N:105]=[C:49]([CH3:4])[OH:118])[C@H:87]([C@@H:74]([C@@H:60]([CH2:40][OH:111])[OH:128])[OH:132])[O:160]4)[OH:135])[O:162]3)[C@@H:84]([O:156][C@H:92]3[C@H:72]([N:108]=[C:52]([CH3:7])[OH:121])[C@@H:85]([O:157][C@H:94]4[C@H:81]([OH:139])[C@@H:90]([O:163][C@:102]5([C:98](=[O:145])[OH:146])[CH2:37][C@H:57]([OH:125])[C@@H:70]([N:106]=[C:50]([CH3:5])[OH:119])[C@H:88]([C@@H:75]([C@@H:61]([CH2:41][OH:112])[OH:129])[OH:133])[O:161]5)[C@@H:76]([OH:134])[C@@H:62]([CH2:42][OH:113])[O:151]4)[C@@H:78]([OH:136])[C@@H:66]([CH2:47][O:150][C@:100]4([C:96](=[O:141])[OH:142])[CH2:35][C@H:55]([OH:123])[C@@H:68]([N:104]=[C:48]([CH3:3])[OH:117])[C@H:86]([C@@H:73]([C@@H:59]([CH2:39][OH:110])[OH:127])[OH:131])[O:159]4)[O:154]3)[C@@H:65]([CH2:45][OH:116])[O:153]2)[C@@H:64]([CH2:44][OH:115])[O:152]1)[N:109]=[C:67]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:130])[OH:122] |
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