| Properties | Image |
|---|
| MNX_ID | MNXM523361 |
 |
| reference | slm:000487254 |
| formula | C78H140N3O31 |
| global charge | -1 |
| mol weight | 1615.968 |
| InChIKey | NZTVUGUUYCEMEG-GFBALUBTSA-M |
| InChI | InChI=1S/C78H141N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(92)81-49(50(89)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-103-74-66(99)64(97)68(55(44-85)106-74)108-76-67(100)72(112-78(77(101)102)40-51(90)58(79-47(3)87)71(111-78)60(93)52(91)41-82)69(56(45-86)107-76)109-73-59(80-48(4)88)70(62(95)54(43-84)104-73)110-75-65(98)63(96)61(94)53(42-83)105-75/h36,38,49-56,58-76,82-86,89-91,93-100H,5-35,37,39-46H2,1-4H3,(H,79,87)(H,80,88)(H,81,92)(H,101,102)/p-1/b38-36+/t49-,50+,51-,52+,53+,54+,55+,56+,58+,59+,60+,61-,62-,63-,64+,65+,66+,67+,68+,69-,70+,71+,72+,73-,74+,75-,76-,78-/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@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H141N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-57(92)81-49(50(89)38-36-34-32-30-28-26-18-16-14-12-10-8-6-2)46-103-74-66(99)64(97)68(55(44-85)106-74)108-76-67(100)72(112-78(77(101)102)40-51(90)58(79-47(3)87)71(111-78)60(93)52(91)41-82)69(56(45-86)107-76)109-73-59(80-48(4)88)70(62(95)54(43-84)104-73)110-75-65(98)63(96)61(94)53(42-83)105-75/h36,38,49-56,58-76,82-86,89-91,93-100H,5-35,37,39-46H2,1-4H3,(H,79,87)(H,80,88)(H,81,92)(H,101,102)/b38-36+/t49-,50+,51-,52+,53+,54+,55+,56+,58+,59+,60+,61-,62-,63-,64+,65+,66+,67+,68+,69-,70+,71+,72+,73-,74+,75-,76-,78-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:57](=[N:81][C@@H:49]([CH2:46][O:103][C@H:74]1[C@H:66]([OH:99])[C@@H:64]([OH:97])[C@H:68]([O:108][C@H:76]2[C@H:67]([OH:100])[C@@H:72]([O:112][C@:78]3([C:77](=[O:101])[OH:102])[CH2:40][C@H:51]([OH:90])[C@@H:58]([N:79]=[C:47]([CH3:3])[OH:87])[C@H:71]([C@@H:60]([C@@H:52]([CH2:41][OH:82])[OH:91])[OH:93])[O:111]3)[C@@H:69]([O:109][C@H:73]3[C@H:59]([N:80]=[C:48]([CH3:4])[OH:88])[C@@H:70]([O:110][C@H:75]4[C@H:65]([OH:98])[C@@H:63]([OH:96])[C@@H:61]([OH:94])[C@@H:53]([CH2:42][OH:83])[O:105]4)[C@@H:62]([OH:95])[C@@H:54]([CH2:43][OH:84])[O:104]3)[C@@H:56]([CH2:45][OH:86])[O:107]2)[C@@H:55]([CH2:44][OH:85])[O:106]1)[C@@H:50](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:89])[OH:92] |
|