| Properties | Image |
|---|
| MNX_ID | MNXM1061779 |
 |
| reference | slm:000754391 |
| formula | C78H133N2O31S |
| global charge | -1 |
| mol weight | 1626.972 |
| InChIKey | RYKDJOILVNOPLI-CMXXFPCMSA-M |
| InChI | InChI=1S/C78H134N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-58(88)80-51(52(87)42-40-38-36-34-32-30-17-15-13-11-9-7-5-2)49-101-75-65(94)63(92)69(56(47-84)105-75)107-76-66(95)64(93)70(57(48-85)106-76)108-77-67(96)72(61(90)54(45-82)103-77)110-74-59(79-50(3)86)71(60(89)53(44-81)102-74)109-78-68(97)73(111-112(98,99)100)62(91)55(46-83)104-78/h6,8,12,14,18-19,21-22,24-25,27-28,51-57,59-78,81-85,87,89-97H,4-5,7,9-11,13,15-17,20,23,26,29-49H2,1-3H3,(H,79,86)(H,80,88)(H,98,99,100)/p-1/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-/t51-,52+,53+,54+,55+,56+,57+,59+,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70-,71+,72-,73-,74-,75+,76-,77+,78-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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@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]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H134N2O31S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-58(88)80-51(52(87)42-40-38-36-34-32-30-17-15-13-11-9-7-5-2)49-101-75-65(94)63(92)69(56(47-84)105-75)107-76-66(95)64(93)70(57(48-85)106-76)108-77-67(96)72(61(90)54(45-82)103-77)110-74-59(79-50(3)86)71(60(89)53(44-81)102-74)109-78-68(97)73(111-112(98,99)100)62(91)55(46-83)104-78/h6,8,12,14,18-19,21-22,24-25,27-28,51-57,59-78,81-85,87,89-97H,4-5,7,9-11,13,15-17,20,23,26,29-49H2,1-3H3,(H,79,86)(H,80,88)(H,98,99,100)/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-/t51-,52+,53+,54+,55+,56+,57+,59+,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70-,71+,72-,73-,74-,75+,76-,77+,78-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:58](=[N:80][C@@H:51]([CH2:49][O:101][C@H:75]1[C@H:65]([OH:94])[C@@H:63]([OH:92])[C@H:69]([O:107][C@H:76]2[C@H:66]([OH:95])[C@@H:64]([OH:93])[C@@H:70]([O:108][C@@H:77]3[C@H:67]([OH:96])[C@@H:72]([O:110][C@H:74]4[C@H:59]([N:79]=[C:50]([CH3:3])[OH:86])[C@@H:71]([O:109][C@H:78]5[C@H:68]([OH:97])[C@@H:73]([O:111][S:112]([OH:98])(=[O:99])=[O:100])[C@@H:62]([OH:91])[C@@H:55]([CH2:46][OH:83])[O:104]5)[C@@H:60]([OH:89])[C@@H:53]([CH2:44][OH:81])[O:102]4)[C@@H:61]([OH:90])[C@@H:54]([CH2:45][OH:82])[O:103]3)[C@@H:57]([CH2:48][OH:85])[O:106]2)[C@@H:56]([CH2:47][OH:84])[O:105]1)[C@@H:52]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:87])[OH:88] |
|