| Properties | Image |
|---|
| MNX_ID | MNXM1054206 |
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| reference | slm:000746606 |
| formula | C48H75N3O15P2 |
| global charge | -2 |
| mol weight | 996.082 |
| InChIKey | ZYWVYTPIAYTZTN-CPWBCBHASA-L |
| InChI | InChI=1S/C48H77N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-43(52)61-37-40(64-44(53)33-4-2)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/h5-6,8-9,11-12,14-15,17-18,20-21,35-36,40-41,45-47,54-55H,3-4,7,10,13,16,19,22-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/p-2/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t40-,41-,45-,46-,47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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)CCC |
MNX internals
| InChI (mnx) | InChI=1/C48H77N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-43(52)61-37-40(64-44(53)33-4-2)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/h5-6,8-9,11-12,14-15,17-18,20-21,35-36,40-41,45-47,54-55H,3-4,7,10,13,16,19,22-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t40-,41-,45-,46-,47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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][CH2:34][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]([CH2:33][CH2:4][CH3:2])=[O:53] |
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