| Properties | Image |
|---|
| MNX_ID | MNXM1033410 |
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| reference | slm:000725799 |
| formula | C59H111NO8P |
| global charge | -1 |
| mol weight | 993.51 |
| InChIKey | AUBJMMTVMULFOG-HEVHAPDDSA-M |
| InChI | InChI=1S/C59H112NO8P/c1-4-7-10-13-16-19-22-25-27-28-29-31-34-37-40-43-46-49-53-65-55-57(68-59(62)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)56-67-69(63,64)66-54-52-60-58(61)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h17,20,26,30,36,39,57H,4-16,18-19,21-25,27-29,31-35,37-38,40-56H2,1-3H3,(H,60,61)(H,63,64)/p-1/b20-17-,30-26-,39-36-/t57-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H112NO8P/c1-4-7-10-13-16-19-22-25-27-28-29-31-34-37-40-43-46-49-53-65-55-57(68-59(62)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)56-67-69(63,64)66-54-52-60-58(61)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h17,20,26,30,36,39,57H,4-16,18-19,21-25,27-29,31-35,37-38,40-56H2,1-3H3,(H,60,61)(H,63,64)/b20-17-,30-26-,39-36-/t57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:28][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:53][O:65][CH2:55][C@H:57]([CH2:56][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:54][CH2:52][N:60]=[C:58]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:61])[O:68][C:59]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:30]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62] |
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