| Properties | Image |
|---|
| MNX_ID | MNXM955311 |
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| reference | slm:000647696 |
| formula | C47H85NO9P |
| global charge | -1 |
| mol weight | 839.169 |
| InChIKey | YDAWNRQQDWVLKJ-QMOBPTJISA-M |
| InChI | InChI=1S/C47H86NO9P/c1-4-7-10-13-16-18-20-21-22-23-25-26-29-32-35-38-46(50)54-42-44(57-47(51)39-36-33-30-27-24-19-17-14-11-8-5-2)43-56-58(52,53)55-41-40-48-45(49)37-34-31-28-15-12-9-6-3/h16,18,21-22,25-26,44H,4-15,17,19-20,23-24,27-43H2,1-3H3,(H,48,49)(H,52,53)/p-1/b18-16-,22-21-,26-25-/t44-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H86NO9P/c1-4-7-10-13-16-18-20-21-22-23-25-26-29-32-35-38-46(50)54-42-44(57-47(51)39-36-33-30-27-24-19-17-14-11-8-5-2)43-56-58(52,53)55-41-40-48-45(49)37-34-31-28-15-12-9-6-3/h16,18,21-22,25-26,44H,4-15,17,19-20,23-24,27-43H2,1-3H3,(H,48,49)(H,52,53)/b18-16-,22-21-,26-25-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:25]=[CH:26]\[CH2:29][CH2:32][CH2:35][CH2:38][C:46](=[O:50])[O:54][CH2:42][C@H:44]([CH2:43][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:41][CH2:40][N:48]=[C:45]([CH2:37][CH2:34][CH2:31][CH2:28][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:49])[O:57][C:47]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:19][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:51] |
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