| Properties | Image |
|---|
| MNX_ID | MNXM959764 |
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| reference | slm:000652149 |
| formula | C54H97NO9P |
| global charge | -1 |
| mol weight | 935.342 |
| InChIKey | IZIMVSCJFLHFIQ-IWUUWMFKSA-M |
| InChI | InChI=1S/C54H98NO9P/c1-5-7-9-11-13-15-16-17-18-19-20-21-24-28-32-36-40-44-53(57)61-48-51(64-54(58)45-41-37-33-29-25-22-23-27-30-34-38-42-50(3)4)49-63-65(59,60)62-47-46-55-52(56)43-39-35-31-26-14-12-10-8-6-2/h13,15,17-18,20-21,28,32,50-51H,5-12,14,16,19,22-27,29-31,33-49H2,1-4H3,(H,55,56)(H,59,60)/p-1/b15-13-,18-17-,21-20-,32-28-/t51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C54H98NO9P/c1-5-7-9-11-13-15-16-17-18-19-20-21-24-28-32-36-40-44-53(57)61-48-51(64-54(58)45-41-37-33-29-25-22-23-27-30-34-38-42-50(3)4)49-63-65(59,60)62-47-46-55-52(56)43-39-35-31-26-14-12-10-8-6-2/h13,15,17-18,20-21,28,32,50-51H,5-12,14,16,19,22-27,29-31,33-49H2,1-4H3,(H,55,56)(H,59,60)/b15-13-,18-17-,21-20-,32-28-/t51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:24]/[CH:28]=[CH:32]\[CH2:36][CH2:40][CH2:44][C:53](=[O:57])[O:61][CH2:48][C@H:51]([CH2:49][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:47][CH2:46][N:55]=[C:52]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:26][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:56])[O:64][C:54]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:22][CH2:23][CH2:27][CH2:30][CH2:34][CH2:38][CH2:42][CH:50]([CH3:3])[CH3:4])=[O:58] |
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