| Properties | Image |
|---|
| MNX_ID | MNXM212751 |
 |
| reference | slm:000490256 |
| formula | C53H93NO10P |
| global charge | -1 |
| mol weight | 935.298 |
| InChIKey | RTUCUMZUXLPGCL-IVTCUQOUSA-M |
| InChI | InChI=1S/C53H94NO10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-35-38-41-44-52(56)64-49(46-62-65(59,60)63-47-50(54)53(57)58)45-61-51(55)43-40-37-34-32-29-30-33-36-39-42-48(2)3/h8-9,11-12,14-15,17-18,20-21,48-50H,4-7,10,13,16,19,22-47,54H2,1-3H3,(H,57,58)(H,59,60)/p-1/b9-8-,12-11-,15-14-,18-17-,21-20-/t49-,50+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C53H94NO10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-35-38-41-44-52(56)64-49(46-62-65(59,60)63-47-50(54)53(57)58)45-61-51(55)43-40-37-34-32-29-30-33-36-39-42-48(2)3/h8-9,11-12,14-15,17-18,20-21,48-50H,4-7,10,13,16,19,22-47,54H2,1-3H3,(H,57,58)(H,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-/t49-,50+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][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][CH2:31][CH2:35][CH2:38][CH2:41][CH2:44][C:52](=[O:56])[O:64][C@H:49]([CH2:45][O:61][C:51]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:32][CH2:29][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH:48]([CH3:2])[CH3:3])=[O:55])[CH2:46][O:62][P:65]([OH:59])(=[O:60])[O:63][CH2:47][C@@H:50]([C:53](=[O:57])[OH:58])[NH2:54] |
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