| Properties | Image |
|---|
| MNX_ID | MNXM958788 |
 |
| reference | slm:000651173 |
| formula | C49H81NO9P |
| global charge | -1 |
| mol weight | 859.159 |
| InChIKey | PDXOZYRGPPPXMH-WAWBRPPHSA-M |
| InChI | InChI=1S/C49H82NO9P/c1-4-7-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-40-48(52)56-44-46(59-49(53)41-36-9-6-3)45-58-60(54,55)57-43-42-50-47(51)39-37-34-32-30-28-26-24-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-22,24-25,27,31,33,46H,4-7,9-10,12-13,18-19,23,26,28-30,32,34-45H2,1-3H3,(H,50,51)(H,54,55)/p-1/b11-8-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t46-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H82NO9P/c1-4-7-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-40-48(52)56-44-46(59-49(53)41-36-9-6-3)45-58-60(54,55)57-43-42-50-47(51)39-37-34-32-30-28-26-24-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-22,24-25,27,31,33,46H,4-7,9-10,12-13,18-19,23,26,28-30,32,34-45H2,1-3H3,(H,50,51)(H,54,55)/b11-8-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:38][CH2:40][C:48](=[O:52])[O:56][CH2:44][C@H:46]([CH2:45][O:58][P:60]([OH:54])(=[O:55])[O:57][CH2:43][CH2:42][N:50]=[C:47]([CH2:39][CH2:37][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:51])[O:59][C:49]([CH2:41][CH2:36][CH2:9][CH2:6][CH3:3])=[O:53] |
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