| Properties | Image |
|---|
| MNX_ID | MNXM1050594 |
 |
| reference | slm:000742994 |
| formula | C52H85N3O15P2 |
| global charge | -2 |
| mol weight | 1054.206 |
| InChIKey | QLKFTSINLVDXKE-PZOIIKTGSA-L |
| InChI | InChI=1S/C52H87N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-48(57)68-45(41-65-44(2)56)42-66-71(61,62)70-72(63,64)67-43-46-49(58)50(59)51(69-46)55-40-39-47(53)54-52(55)60/h4-5,7-8,10-11,13-14,16-17,39-40,45-46,49-51,58-59H,3,6,9,12,15,18-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/p-2/b5-4-,8-7-,11-10-,14-13-,17-16-/t45-,46-,49-,50-,51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-48(57)68-45(41-65-44(2)56)42-66-71(61,62)70-72(63,64)67-43-46-49(58)50(59)51(69-46)55-40-39-47(53)54-52(55)60/h4-5,7-8,10-11,13-14,16-17,39-40,45-46,49-51,58-59H,3,6,9,12,15,18-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b5-4-,8-7-,11-10-,14-13-,17-16-/t45-,46-,49-,50-,51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][C:48](=[O:57])[O:68][C@H:45]([CH2:41][O:65][C:44]([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:46]1[C@@H:49]([OH:58])[C@@H:50]([OH:59])[C@H:51]([N:55]2[CH:40]=[CH:39][C:47](=[NH:53])[N:54]=[C:52]2[OH:60])[O:69]1 |
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