| Properties | Image |
|---|
| MNX_ID | MNXM103138 |
 |
| reference | chebi:71405 |
| formula | C51H91N7O18 |
| global charge | 0 |
| mol weight | 1090.32 |
| InChIKey | JGKZASZULZLRJU-RUTHMLLDSA-N |
| InChI | InChI=1S/C51H91N7O18/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-38(63)53-27-22-21-23-35(49(70)71)57-39(64)26-25-34(46(52)67)58-47(68)30(2)54-48(69)31(3)73-45-41(56-33(5)62)50(72)74-37(29-60)44(45)76-51-40(55-32(4)61)43(66)42(65)36(28-59)75-51/h30-31,34-37,40-45,50-51,59-60,65-66,72H,6-29H2,1-5H3,(H2,52,67)(H,53,63)(H,54,69)(H,55,61)(H,56,62)(H,57,64)(H,58,68)(H,70,71)/t30-,31+,34+,35+,36+,37+,40+,41+,42+,43+,44+,45+,50+,51-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C51H91N7O18/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-38(63)53-27-22-21-23-35(49(70)71)57-39(64)26-25-34(46(52)67)58-47(68)30(2)54-48(69)31(3)73-45-41(56-33(5)62)50(72)74-37(29-60)44(45)76-51-40(55-32(4)61)43(66)42(65)36(28-59)75-51/h30-31,34-37,40-45,50-51,59-60,65-66,72H,6-29H2,1-5H3,(H2,52,67)(H,53,63)(H,54,69)(H,55,61)(H,56,62)(H,57,64)(H,58,68)(H,70,71)/t30-,31+,34+,35+,36+,37+,40+,41+,42+,43+,44+,45+,50+,51-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][C:38](=[N:53][CH2:27][CH2:22][CH2:21][CH2:23][C@H:35]([C:49](=[O:70])[OH:71])[N:57]=[C:39]([CH2:26][CH2:25][C@H:34]([C:46](=[NH:52])[OH:67])[N:58]=[C:47]([C@H:30]([CH3:2])[N:54]=[C:48]([C@@H:31]([CH3:3])[O:73][C@@H:45]1[C@@H:41]([N:56]=[C:33]([CH3:5])[OH:62])[C@H:50]([OH:72])[O:74][C@H:37]([CH2:29][OH:60])[C@H:44]1[O:76][C@H:51]1[C@H:40]([N:55]=[C:32]([CH3:4])[OH:61])[C@@H:43]([OH:66])[C@H:42]([OH:65])[C@@H:36]([CH2:28][OH:59])[O:75]1)[OH:69])[OH:68])[OH:64])[OH:63] |
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