| Properties | Image |
|---|
| MNX_ID | MNXM1065033 |
 |
| reference | slm:000757697 |
| formula | C80H138N3O31S |
| global charge | -1 |
| mol weight | 1670.041 |
| InChIKey | KPNQAUMTPGXWST-PHMXNFBCSA-M |
| InChI | InChI=1S/C80H139N3O31S/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-60(92)83-53(54(91)43-41-39-37-35-33-31-18-16-14-12-10-8-6-2)50-104-78-68(98)67(97)71(59(49-88)109-78)110-79-70(100)75(66(96)58(48-87)107-79)113-80-69(99)74(65(95)57(47-86)108-80)112-76-61(81-51(3)89)72(63(93)55(45-84)105-76)111-77-62(82-52(4)90)73(114-115(101,102)103)64(94)56(46-85)106-77/h7,9,13,15,19-20,22-23,25-26,53-59,61-80,84-88,91,93-100H,5-6,8,10-12,14,16-18,21,24,27-50H2,1-4H3,(H,81,89)(H,82,90)(H,83,92)(H,101,102,103)/p-1/b9-7-,15-13-,20-19-,23-22-,26-25-/t53-,54+,55+,56+,57+,58+,59+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74-,75-,76-,77+,78+,79-,80+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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](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]5O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H139N3O31S/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-60(92)83-53(54(91)43-41-39-37-35-33-31-18-16-14-12-10-8-6-2)50-104-78-68(98)67(97)71(59(49-88)109-78)110-79-70(100)75(66(96)58(48-87)107-79)113-80-69(99)74(65(95)57(47-86)108-80)112-76-61(81-51(3)89)72(63(93)55(45-84)105-76)111-77-62(82-52(4)90)73(114-115(101,102)103)64(94)56(46-85)106-77/h7,9,13,15,19-20,22-23,25-26,53-59,61-80,84-88,91,93-100H,5-6,8,10-12,14,16-18,21,24,27-50H2,1-4H3,(H,81,89)(H,82,90)(H,83,92)(H,101,102,103)/b9-7-,15-13-,20-19-,23-22-,26-25-/t53-,54+,55+,56+,57+,58+,59+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74-,75-,76-,77+,78+,79-,80+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:60](=[N:83][C@@H:53]([CH2:50][O:104][C@H:78]1[C@H:68]([OH:98])[C@@H:67]([OH:97])[C@H:71]([O:110][C@H:79]2[C@H:70]([OH:100])[C@@H:75]([O:113][C@@H:80]3[C@H:69]([OH:99])[C@@H:74]([O:112][C@H:76]4[C@H:61]([N:81]=[C:51]([CH3:3])[OH:89])[C@@H:72]([O:111][C@@H:77]5[C@H:62]([N:82]=[C:52]([CH3:4])[OH:90])[C@@H:73]([O:114][S:115]([OH:101])(=[O:102])=[O:103])[C@@H:64]([OH:94])[C@@H:56]([CH2:46][OH:85])[O:106]5)[C@@H:63]([OH:93])[C@@H:55]([CH2:45][OH:84])[O:105]4)[C@@H:65]([OH:95])[C@@H:57]([CH2:47][OH:86])[O:108]3)[C@@H:66]([OH:96])[C@@H:58]([CH2:48][OH:87])[O:107]2)[C@@H:59]([CH2:49][OH:88])[O:109]1)[C@@H:54]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:91])[OH:92] |
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