| Properties | Image |
|---|
| MNX_ID | MNXM1052038 |
 |
| reference | slm:000744438 |
| formula | C53H95N3O15P2 |
| global charge | -2 |
| mol weight | 1076.297 |
| InChIKey | UNMYZYXWMPFXML-SRHVGJAHSA-L |
| InChI | InChI=1S/C53H97N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-48(57)66-42-45(69-49(58)39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2)43-67-72(62,63)71-73(64,65)68-44-46-50(59)51(60)52(70-46)56-41-40-47(54)55-53(56)61/h17,19,40-41,45-46,50-52,59-60H,3-16,18,20-39,42-44H2,1-2H3,(H,62,63)(H,64,65)(H2,54,55,61)/p-2/b19-17-/t45-,46-,50-,51-,52-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H97N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-48(57)66-42-45(69-49(58)39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2)43-67-72(62,63)71-73(64,65)68-44-46-50(59)51(60)52(70-46)56-41-40-47(54)55-53(56)61/h17,19,40-41,45-46,50-52,59-60H,3-16,18,20-39,42-44H2,1-2H3,(H,62,63)(H,64,65)(H2,54,55,61)/b19-17-/t45-,46-,50-,51-,52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:48](=[O:57])[O:66][CH2:42][C@H:45]([CH2:43][O:67][P:72]([OH:62])(=[O:63])[O:71][P:73]([OH:64])(=[O:65])[O:68][CH2:44][C@@H:46]1[C@@H:50]([OH:59])[C@@H:51]([OH:60])[C@H:52]([N:56]2[CH:41]=[CH:40][C:47](=[NH:54])[N:55]=[C:53]2[OH:61])[O:70]1)[O:69][C:49]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58] |
|