| Properties | Image |
|---|
| MNX_ID | MNXM1051360 |
 |
| reference | slm:000743760 |
| formula | C48H81N3O15P2 |
| global charge | -2 |
| mol weight | 1002.13 |
| InChIKey | SFVYRXVEGURUQL-FMZAQBLXSA-L |
| InChI | InChI=1S/C48H83N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-23-14-12-10-8-6-4-2)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/h10-13,16-17,35-36,40-41,45-47,54-55H,3-9,14-15,18-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/p-2/b12-10-,13-11-,17-16-/t40-,41-,45-,46-,47-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)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/C48H83N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-23-14-12-10-8-6-4-2)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/h10-13,16-17,35-36,40-41,45-47,54-55H,3-9,14-15,18-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b12-10-,13-11-,17-16-/t40-,41-,45-,46-,47-/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:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:43](=[O:52])[O:61][CH2:37][C@H:40]([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)[O:64][C:44]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
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