| Properties | Image |
|---|
| MNX_ID | MNXM955081 |
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| reference | slm:000647466 |
| formula | C58H103NO9P |
| global charge | -1 |
| mol weight | 989.434 |
| InChIKey | QYKKJQONYJSYGE-WPTOZOGXSA-M |
| InChI | InChI=1S/C58H104NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-35-38-40-43-46-49-57(61)65-53-55(68-58(62)50-47-44-41-37-21-18-15-12-9-6-3)54-67-69(63,64)66-52-51-59-56(60)48-45-42-39-36-34-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,34,36,55H,4-15,18,21-23,27-29,31-33,35,37-54H2,1-3H3,(H,59,60)(H,63,64)/p-1/b19-16-,20-17-,26-24-,30-25-,36-34-/t55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H104NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-35-38-40-43-46-49-57(61)65-53-55(68-58(62)50-47-44-41-37-21-18-15-12-9-6-3)54-67-69(63,64)66-52-51-59-56(60)48-45-42-39-36-34-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,34,36,55H,4-15,18,21-23,27-29,31-33,35,37-54H2,1-3H3,(H,59,60)(H,63,64)/b19-16-,20-17-,26-24-,30-25-,36-34-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][C:57](=[O:61])[O:65][CH2:53][C@H:55]([CH2:54][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:52][CH2:51][N:59]=[C:56]([CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:34]\[CH2:32]/[CH:30]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:60])[O:68][C:58]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:37][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62] |
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