| Properties | Image |
|---|
| MNX_ID | MNXM1054689 |
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| reference | slm:000747089 |
| formula | C51H83N3O15P2 |
| global charge | -2 |
| mol weight | 1040.179 |
| InChIKey | REQHFIQWYBOUOW-OSYHHKQUSA-L |
| InChI | InChI=1S/C51H85N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-47(56)64-40-43(67-46(55)4-2)41-65-70(60,61)69-71(62,63)66-42-44-48(57)49(58)50(68-44)54-39-38-45(52)53-51(54)59/h8-9,11-12,14-15,17-18,20-21,38-39,43-44,48-50,57-58H,3-7,10,13,16,19,22-37,40-42H2,1-2H3,(H,60,61)(H,62,63)(H2,52,53,59)/p-2/b9-8-,12-11-,15-14-,18-17-,21-20-/t43-,44-,48-,49-,50-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=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)CC |
MNX internals
| InChI (mnx) | InChI=1/C51H85N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-47(56)64-40-43(67-46(55)4-2)41-65-70(60,61)69-71(62,63)66-42-44-48(57)49(58)50(68-44)54-39-38-45(52)53-51(54)59/h8-9,11-12,14-15,17-18,20-21,38-39,43-44,48-50,57-58H,3-7,10,13,16,19,22-37,40-42H2,1-2H3,(H,60,61)(H,62,63)(H2,52,53,59)/b9-8-,12-11-,15-14-,18-17-,21-20-/t43-,44-,48-,49-,50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[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][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][C:47](=[O:56])[O:64][CH2:40][C@H:43]([CH2:41][O:65][P:70]([OH:60])(=[O:61])[O:69][P:71]([OH:62])(=[O:63])[O:66][CH2:42][C@@H:44]1[C@@H:48]([OH:57])[C@@H:49]([OH:58])[C@H:50]([N:54]2[CH:39]=[CH:38][C:45](=[NH:52])[N:53]=[C:51]2[OH:59])[O:68]1)[O:67][C:46]([CH2:4][CH3:2])=[O:55] |
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