| Properties | Image |
|---|
| MNX_ID | MNXM957602 |
 |
| reference | slm:000649987 |
| formula | C51H85NO9P |
| global charge | -1 |
| mol weight | 887.213 |
| InChIKey | AATQIWYGHGAYDW-CAOXXYAXSA-M |
| InChI | InChI=1S/C51H86NO9P/c1-4-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-43-50(54)58-46-48(61-51(55)41-6-3)47-60-62(56,57)59-45-44-52-49(53)42-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-5-2/h13-16,19-22,24,26-27,29,33,35,48H,4-12,17-18,23,25,28,30-32,34,36-47H2,1-3H3,(H,52,53)(H,56,57)/p-1/b15-13-,16-14-,21-19-,22-20-,26-24-,29-27-,35-33-/t48-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C51H86NO9P/c1-4-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-43-50(54)58-46-48(61-51(55)41-6-3)47-60-62(56,57)59-45-44-52-49(53)42-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-5-2/h13-16,19-22,24,26-27,29,33,35,48H,4-12,17-18,23,25,28,30-32,34,36-47H2,1-3H3,(H,52,53)(H,56,57)/b15-13-,16-14-,21-19-,22-20-,26-24-,29-27-,35-33-/t48-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:43][C:50](=[O:54])[O:58][CH2:46][C@H:48]([CH2:47][O:60][P:62]([OH:56])(=[O:57])[O:59][CH2:45][CH2:44][N:52]=[C:49]([CH2:42][CH2:39][CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:53])[O:61][C:51]([CH2:41][CH2:6][CH3:3])=[O:55] |
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