| Properties | Image |
|---|
| MNX_ID | MNXM6548 |
 |
| reference | chebi:60363 |
| formula | C100H178N2O51P2 |
| global charge | 0 |
| mol weight | 2286.435 |
| InChIKey | TYLUQSNCPDWDDX-CHQVSXKGSA-N |
| InChI | InChI=1S/C100H178N2O51P2/c1-5-9-13-17-21-25-29-33-37-41-59(107)45-73(116)101-77-89(143-75(118)47-61(109)43-39-35-31-27-23-19-15-11-7-3)83(124)71(141-92(77)153-155(136,137)138)57-139-91-78(102-74(117)46-60(108)42-38-34-30-26-22-18-14-10-6-2)90(144-76(119)48-62(110)44-40-36-32-28-24-20-16-12-8-4)88(152-154(133,134)135)72(142-91)58-140-97(93(125)126)50-68(80(121)85(148-97)65(113)54-104)146-99(95(129)130)52-70(82(123)87(150-99)67(115)56-106)147-100(96(131)132)51-69(81(122)86(151-100)66(114)55-105)145-98(94(127)128)49-63(111)79(120)84(149-98)64(112)53-103/h59-72,77-92,103-115,120-124H,5-58H2,1-4H3,(H,101,116)(H,102,117)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,97-,98-,99-,100-/m1/s1 |
| SMILES | CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O[C@]4(C(=O)O)C[C@@H](O[C@]5(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O5)[C@@H](O)[C@@H]([C@H](O)CO)O4)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C100H178N2O51P2/c1-5-9-13-17-21-25-29-33-37-41-59(107)45-73(116)101-77-89(143-75(118)47-61(109)43-39-35-31-27-23-19-15-11-7-3)83(124)71(141-92(77)153-155(136,137)138)57-139-91-78(102-74(117)46-60(108)42-38-34-30-26-22-18-14-10-6-2)90(144-76(119)48-62(110)44-40-36-32-28-24-20-16-12-8-4)88(152-154(133,134)135)72(142-91)58-140-97(93(125)126)50-68(80(121)85(148-97)65(113)54-104)146-99(95(129)130)52-70(82(123)87(150-99)67(115)56-106)147-100(96(131)132)51-69(81(122)86(151-100)66(114)55-105)145-98(94(127)128)49-63(111)79(120)84(149-98)64(112)53-103/h59-72,77-92,103-115,120-124H,5-58H2,1-4H3,(H,101,116)(H,102,117)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,97-,98-,99-,100-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][C@H:59]([CH2:45][C:73](=[N:101][C@@H:77]1[C@@H:89]([O:143][C:75]([CH2:47][C@@H:61]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])[OH:109])=[O:118])[C@H:83]([OH:124])[C@@H:71]([CH2:57][O:139][C@H:91]2[C@H:78]([N:102]=[C:74]([CH2:46][C@@H:60]([CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])[OH:108])[OH:117])[C@@H:90]([O:144][C:76]([CH2:48][C@@H:62]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])[OH:110])=[O:119])[C@H:88]([O:152][P:154]([OH:133])([OH:134])=[O:135])[C@@H:72]([CH2:58][O:140][C@:97]3([C:93](=[O:125])[OH:126])[CH2:50][C@@H:68]([O:146][C@:99]4([C:95](=[O:129])[OH:130])[CH2:52][C@@H:70]([O:147][C@:100]5([C:96](=[O:131])[OH:132])[CH2:51][C@@H:69]([O:145][C@:98]6([C:94](=[O:127])[OH:128])[CH2:49][C@@H:63]([OH:111])[C@@H:79]([OH:120])[C@@H:84]([C@@H:64]([CH2:53][OH:103])[OH:112])[O:149]6)[C@@H:81]([OH:122])[C@@H:86]([C@@H:66]([CH2:55][OH:105])[OH:114])[O:151]5)[C@@H:82]([OH:123])[C@@H:87]([C@@H:67]([CH2:56][OH:106])[OH:115])[O:150]4)[C@@H:80]([OH:121])[C@@H:85]([C@@H:65]([CH2:54][OH:104])[OH:113])[O:148]3)[O:142]2)[O:141][C@@H:92]1[O:153][P:155]([OH:136])([OH:137])=[O:138])[OH:116])[OH:107] |
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