| Properties | Image |
|---|
| MNX_ID | MNXM959922 |
 |
| reference | slm:000652307 |
| formula | C47H77NO9P |
| global charge | -1 |
| mol weight | 831.105 |
| InChIKey | BAKDVYIJYTYWKG-QXTPGGTISA-M |
| InChI | InChI=1S/C47H78NO9P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-47(51)54-42-45(57-44(3)49)43-56-58(52,53)55-41-40-48-46(50)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h7,9,12-15,18-20,22-24,27,29,45H,4-6,8,10-11,16-17,21,25-26,28,30-43H2,1-3H3,(H,48,50)(H,52,53)/p-1/b9-7-,14-12-,15-13-,20-18-,23-22-,24-19-,29-27-/t45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C47H78NO9P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-47(51)54-42-45(57-44(3)49)43-56-58(52,53)55-41-40-48-46(50)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h7,9,12-15,18-20,22-24,27,29,45H,4-6,8,10-11,16-17,21,25-26,28,30-43H2,1-3H3,(H,48,50)(H,52,53)/b9-7-,14-12-,15-13-,20-18-,23-22-,24-19-,29-27-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:47](=[O:51])[O:54][CH2:42][C@H:45]([CH2:43][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:41][CH2:40][N:48]=[C:46]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:19]\[CH2:17]/[CH:15]=[CH:13]\[CH2:11]/[CH:9]=[CH:7]\[CH2:5][CH3:2])[OH:50])[O:57][C:44]([CH3:3])=[O:49] |
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