| Properties | Image |
|---|
| MNX_ID | MNXM1052203 |
 |
| reference | slm:000744603 |
| formula | C52H83N3O15P2 |
| global charge | -2 |
| mol weight | 1052.19 |
| InChIKey | KBGPZIBEPJFLEW-IDDBQHBJSA-L |
| InChI | InChI=1S/C52H85N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-47(56)65-41-44(68-48(57)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2)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/h11,13,17-18,20-21,23-24,27-30,39-40,44-45,49-51,58-59H,3-10,12,14-16,19,22,25-26,31-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/p-2/b13-11-,18-17-,21-20-,24-23-,29-27-,30-28-/t44-,45-,49-,50-,51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H85N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-47(56)65-41-44(68-48(57)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2)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/h11,13,17-18,20-21,23-24,27-30,39-40,44-45,49-51,58-59H,3-10,12,14-16,19,22,25-26,31-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b13-11-,18-17-,21-20-,24-23-,29-27-,30-28-/t44-,45-,49-,50-,51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][C:47](=[O:56])[O:65][CH2:41][C@H:44]([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)[O:68][C:48]([CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:28]\[CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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