| Properties | Image |
|---|
| MNX_ID | MNXM163222 |
 |
| reference | chebi:136107 |
| formula | C41H62N7O18P3S |
| global charge | -4 |
| mol weight | 1065.967 |
| InChIKey | LXSGFLHDCXXEGX-RNHTUXGESA-J |
| InChI | InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-14-17-28-29(63-28)18-15-12-13-16-19-32(50)70-23-22-43-31(49)20-21-44-39(53)36(52)41(2,3)25-62-69(59,60)66-68(57,58)61-24-30-35(65-67(54,55)56)34(51)40(64-30)48-27-47-33-37(42)45-26-46-38(33)48/h8-9,11-12,14-15,26-30,34-36,40,51-52H,4-7,10,13,16-25H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,14-11-,15-12-/t28?,29?,30-,34-,35-,36+,40-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CC1OC1C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-14-17-28-29(63-28)18-15-12-13-16-19-32(50)70-23-22-43-31(49)20-21-44-39(53)36(52)41(2,3)25-62-69(59,60)66-68(57,58)61-24-30-35(65-67(54,55)56)34(51)40(64-30)48-27-47-33-37(42)45-26-46-38(33)48/h8-9,11-12,14-15,26-30,34-36,40,51-52H,4-7,10,13,16-25H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,14-11-,15-12-/t28?,29?,30-,34-,35-,36+,40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:14]\[CH2:17][CH:28]1[CH:29]([CH2:18]/[CH:15]=[CH:12]\[CH2:13][CH2:16][CH2:19][C:32](=[O:50])[S:70][CH2:23][CH2:22][N:43]=[C:31]([CH2:20][CH2:21][N:44]=[C:39]([C@@H:36]([C:41]([CH3:2])([CH3:3])[CH2:25][O:62][P:69]([OH:59])(=[O:60])[O:66][P:68]([OH:57])(=[O:58])[O:61][CH2:24][C@@H:30]2[C@@H:35]([O:65][P:67]([OH:54])([OH:55])=[O:56])[C@@H:34]([OH:51])[C@H:40]([N:48]3[CH:27]=[N:47][C:33]4=[C:37]([NH2:42])[N:45]=[CH:26][N:46]=[C:38]43)[O:64]2)[OH:52])[OH:53])[OH:49])[O:63]1 |
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