| Properties | Image |
|---|
| MNX_ID | MNXM956259 |
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| reference | slm:000648644 |
| formula | C54H97NO9P |
| global charge | -1 |
| mol weight | 935.342 |
| InChIKey | YLWRZEALTDSMLP-ULQXJAAPSA-M |
| InChI | InChI=1S/C54H98NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-52(56)55-47-48-62-65(59,60)63-50-51(64-54(58)46-43-40-37-33-21-18-15-12-9-6-3)49-61-53(57)45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h17,19-20,22,25,27,31,34,51H,4-16,18,21,23-24,26,28-30,32-33,35-50H2,1-3H3,(H,55,56)(H,59,60)/p-1/b20-17-,22-19-,27-25-,34-31-/t51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-52(56)55-47-48-62-65(59,60)63-50-51(64-54(58)46-43-40-37-33-21-18-15-12-9-6-3)49-61-53(57)45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h17,19-20,22,25,27,31,34,51H,4-16,18,21,23-24,26,28-30,32-33,35-50H2,1-3H3,(H,55,56)(H,59,60)/b20-17-,22-19-,27-25-,34-31-/t51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:52](=[N:55][CH2:47][CH2:48][O:62][P:65]([OH:59])(=[O:60])[O:63][CH2:50][C@@H:51]([CH2:49][O:61][C:53]([CH2:45][CH2:42][CH2:39][CH2:36]/[CH:34]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57])[O:64][C:54]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:33][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[OH:56] |
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