| Properties | Image |
|---|
| MNX_ID | MNXM36483 |
 |
| reference | chebi:61852 |
| formula | C56H104N2O24 |
| global charge | 0 |
| mol weight | 1189.438 |
| InChIKey | RCUNWHPLELPHMQ-ZVANKWSMSA-N |
| InChI | InChI=1S/C56H104N2O24/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-33(61)32(58-51(72)34(62)27-25-23-21-18-14-12-10-8-6-4-2)30-75-54-47(71)45(69)48(50(82-54)52(73)74)80-53-38(57)42(66)41(65)37(79-53)31-76-56-49(44(68)40(64)36(29-60)78-56)81-55-46(70)43(67)39(63)35(28-59)77-55/h32-50,53-56,59-71H,3-31,57H2,1-2H3,(H,58,72)(H,73,74)/t32?,33?,34-,35+,36+,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47+,48-,49+,50-,53+,54-,55+,56-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC(O)C(CO[C@H]1O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1O)NC(=O)[C@@H](O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H104N2O24/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-33(61)32(58-51(72)34(62)27-25-23-21-18-14-12-10-8-6-4-2)30-75-54-47(71)45(69)48(50(82-54)52(73)74)80-53-38(57)42(66)41(65)37(79-53)31-76-56-49(44(68)40(64)36(29-60)78-56)81-55-46(70)43(67)39(63)35(28-59)77-55/h32-50,53-56,59-71H,3-31,57H2,1-2H3,(H,58,72)(H,73,74)/t32?,33?,34-,35+,36+,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47+,48-,49+,50-,53+,54-,55+,56-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH:33]([CH:32]([CH2:30][O:75][C@@H:54]1[C@H:47]([OH:71])[C@@H:45]([OH:69])[C@H:48]([O:80][C@@H:53]2[C@H:38]([NH2:57])[C@@H:42]([OH:66])[C@H:41]([OH:65])[C@@H:37]([CH2:31][O:76][C@@H:56]3[C@H:49]([O:81][C@@H:55]4[C@@H:46]([OH:70])[C@@H:43]([OH:67])[C@H:39]([OH:63])[C@@H:35]([CH2:28][OH:59])[O:77]4)[C@@H:44]([OH:68])[C@@H:40]([OH:64])[C@@H:36]([CH2:29][OH:60])[O:78]3)[O:79]2)[C@@H:50]([C:52](=[O:73])[OH:74])[O:82]1)[N:58]=[C:51]([C@H:34]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:62])[OH:72])[OH:61] |
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