| Properties | Image |
|---|
| MNX_ID | MNXM1048662 |
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| reference | slm:000741054 |
| formula | C52H85N3O15P2 |
| global charge | -2 |
| mol weight | 1054.206 |
| InChIKey | MWINMZAXPUHYHA-GSVKAHDUSA-L |
| InChI | InChI=1S/C52H87N3O15P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11-12,14-15,17-18,20-21,39-40,44-45,49-51,58-59H,3-4,6,8-10,13,16,19,22-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/p-2/b7-5-,12-11-,15-14-,18-17-,21-20-/t44-,45-,49-,50-,51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C52H87N3O15P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11-12,14-15,17-18,20-21,39-40,44-45,49-51,58-59H,3-4,6,8-10,13,16,19,22-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,12-11-,15-14-,18-17-,21-20-/t44-,45-,49-,50-,51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:48](=[O:57])[O:68][C@H:44]([CH2:41][O:65][C:47]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:42][O:66][P:71]([OH:61])(=[O:62])[O:70][P:72]([OH:63])(=[O:64])[O:67][CH2:43][C@@H:45]1[C@@H:49]([OH:58])[C@@H:50]([OH:59])[C@H:51]([N:55]2[CH:40]=[CH:39][C:46](=[NH:53])[N:54]=[C:52]2[OH:60])[O:69]1 |
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