| Properties | Image |
|---|
| MNX_ID | MNXM1048889 |
 |
| reference | slm:000741283 |
| formula | C48H77N3O15P2 |
| global charge | -2 |
| mol weight | 998.098 |
| InChIKey | IMILBSQYMKGFGK-LNUDMMJISA-L |
| InChI | InChI=1S/C48H79N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-44(53)64-40(37-61-43(52)33-31-29-27-25-23-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h5,7,11,13,16-17,19-20,22,24,35-36,40-41,45-47,54-55H,3-4,6,8-10,12,14-15,18,21,23,25-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/p-2/b7-5-,13-11-,17-16-,20-19-,24-22-/t40-,41-,45-,46-,47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)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/C48H79N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-44(53)64-40(37-61-43(52)33-31-29-27-25-23-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h5,7,11,13,16-17,19-20,22,24,35-36,40-41,45-47,54-55H,3-4,6,8-10,12,14-15,18,21,23,25-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b7-5-,13-11-,17-16-,20-19-,24-22-/t40-,41-,45-,46-,47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:24]\[CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:44](=[O:53])[O:64][C@H:40]([CH2:37][O:61][C:43]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52])[CH2:38][O:62][P:67]([OH:57])(=[O:58])[O:66][P:68]([OH:59])(=[O:60])[O:63][CH2:39][C@@H:41]1[C@@H:45]([OH:54])[C@@H:46]([OH:55])[C@H:47]([N:51]2[CH:36]=[CH:35][C:42](=[NH:49])[N:50]=[C:48]2[OH:56])[O:65]1 |
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