| Properties | Image |
|---|
| MNX_ID | MNXM1064791 |
 |
| reference | slm:000757455 |
| formula | C80H139N2O26S |
| global charge | -1 |
| mol weight | 1577.047 |
| InChIKey | ORZPZFZWQGHAJC-MPSLUQQISA-M |
| InChI | InChI=1S/C80H140N2O26S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-64(89)82-58(59(88)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)56-100-78-70(94)69(93)73(63(55-86)104-78)105-79-72(96)76(68(92)62(54-85)102-79)107-80-71(95)75(67(91)61(53-84)103-80)106-77-65(81-57(3)87)74(108-109(97,98)99)66(90)60(52-83)101-77/h6,8,12,14,18-19,21-22,24-25,27-28,58-63,65-80,83-86,88,90-96H,4-5,7,9-11,13,15-17,20,23,26,29-56H2,1-3H3,(H,81,87)(H,82,89)(H,97,98,99)/p-1/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-/t58-,59+,60+,61+,62+,63+,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\C/C=C\CCCCCCCCCCCCCCCCC(=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](OS(=O)(=O)[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/C80H140N2O26S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-64(89)82-58(59(88)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)56-100-78-70(94)69(93)73(63(55-86)104-78)105-79-72(96)76(68(92)62(54-85)102-79)107-80-71(95)75(67(91)61(53-84)103-80)106-77-65(81-57(3)87)74(108-109(97,98)99)66(90)60(52-83)101-77/h6,8,12,14,18-19,21-22,24-25,27-28,58-63,65-80,83-86,88,90-96H,4-5,7,9-11,13,15-17,20,23,26,29-56H2,1-3H3,(H,81,87)(H,82,89)(H,97,98,99)/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-/t58-,59+,60+,61+,62+,63+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75-,76-,77-,78+,79-,80+/m0/s1 |
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| 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][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:64](=[N:82][C@@H:58]([CH2:56][O:100][C@H:78]1[C@H:70]([OH:94])[C@@H:69]([OH:93])[C@H:73]([O:105][C@H:79]2[C@H:72]([OH:96])[C@@H:76]([O:107][C@@H:80]3[C@H:71]([OH:95])[C@@H:75]([O:106][C@H:77]4[C@H:65]([N:81]=[C:57]([CH3:3])[OH:87])[C@@H:74]([O:108][S:109]([OH:97])(=[O:98])=[O:99])[C@@H:66]([OH:90])[C@@H:60]([CH2:52][OH:83])[O:101]4)[C@@H:67]([OH:91])[C@@H:61]([CH2:53][OH:84])[O:103]3)[C@@H:68]([OH:92])[C@@H:62]([CH2:54][OH:85])[O:102]2)[C@@H:63]([CH2:55][OH:86])[O:104]1)[C@@H:59]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:88])[OH:89] |
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