| Properties | Image |
|---|
| MNX_ID | MNXM953447 |
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| reference | slm:000645832 |
| formula | C49H85NO9P |
| global charge | -1 |
| mol weight | 863.191 |
| InChIKey | BSELVAIRNJAVNN-LWHAGNASSA-M |
| InChI | InChI=1S/C49H86NO9P/c1-4-7-10-12-14-16-18-20-22-23-25-26-28-30-32-34-37-40-48(52)56-44-46(45-58-60(54,55)57-43-42-50-47(51)39-36-9-6-3)59-49(53)41-38-35-33-31-29-27-24-21-19-17-15-13-11-8-5-2/h14-17,20-22,24,29,31,46H,4-13,18-19,23,25-28,30,32-45H2,1-3H3,(H,50,51)(H,54,55)/p-1/b16-14-,17-15-,22-20-,24-21-,31-29-/t46-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H86NO9P/c1-4-7-10-12-14-16-18-20-22-23-25-26-28-30-32-34-37-40-48(52)56-44-46(45-58-60(54,55)57-43-42-50-47(51)39-36-9-6-3)59-49(53)41-38-35-33-31-29-27-24-21-19-17-15-13-11-8-5-2/h14-17,20-22,24,29,31,46H,4-13,18-19,23,25-28,30,32-45H2,1-3H3,(H,50,51)(H,54,55)/b16-14-,17-15-,22-20-,24-21-,31-29-/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][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:37][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][CH2:36][CH2:9][CH2:6][CH3:3])[OH:51])[O:59][C:49]([CH2:41][CH2:38][CH2:35][CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:24]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53] |
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