| Properties | Image |
|---|
| MNX_ID | MNXM956071 |
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| reference | slm:000648456 |
| formula | C57H103NO9P |
| global charge | -1 |
| mol weight | 977.423 |
| InChIKey | TXSSQVPZGHHOIO-KOLAIENOSA-M |
| InChI | InChI=1S/C57H104NO9P/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-55(59)58-50-51-65-68(62,63)66-53-54(67-57(61)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)52-64-56(60)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,54H,4-16,18-19,22-23,25,27,29-32,34-35,37-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b20-17-,24-21-,28-26-,36-33-/t54-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H104NO9P/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-55(59)58-50-51-65-68(62,63)66-53-54(67-57(61)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)52-64-56(60)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,54H,4-16,18-19,22-23,25,27,29-32,34-35,37-53H2,1-3H3,(H,58,59)(H,62,63)/b20-17-,24-21-,28-26-,36-33-/t54-/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][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:55](=[N:58][CH2:50][CH2:51][O:65][P:68]([OH:62])(=[O:63])[O:66][CH2:53][C@@H:54]([CH2:52][O:64][C:56]([CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:33]\[CH2:31]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:67][C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:29]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[OH:59] |
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