| Properties | Image |
|---|
| MNX_ID | MNXM956124 |
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| reference | slm:000648509 |
| formula | C55H99NO9P |
| global charge | -1 |
| mol weight | 949.369 |
| InChIKey | VSXCXYCTGZUPQG-XGFYLGAGSA-M |
| InChI | InChI=1S/C55H100NO9P/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-35-38-41-44-47-55(59)65-52(50-62-54(58)46-43-40-37-34-31-29-27-24-22-20-17-14-11-8-5-2)51-64-66(60,61)63-49-48-56-53(57)45-42-39-36-33-18-15-12-9-6-3/h17,20,23-25,27,31,34,52H,4-16,18-19,21-22,26,28-30,32-33,35-51H2,1-3H3,(H,56,57)(H,60,61)/p-1/b20-17-,25-23-,27-24-,34-31-/t52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H100NO9P/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-35-38-41-44-47-55(59)65-52(50-62-54(58)46-43-40-37-34-31-29-27-24-22-20-17-14-11-8-5-2)51-64-66(60,61)63-49-48-56-53(57)45-42-39-36-33-18-15-12-9-6-3/h17,20,23-25,27,31,34,52H,4-16,18-19,21-22,26,28-30,32-33,35-51H2,1-3H3,(H,56,57)(H,60,61)/b20-17-,25-23-,27-24-,34-31-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21]/[CH:23]=[CH:25]\[CH2:26][CH2:28][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:55](=[O:59])[O:65][C@H:52]([CH2:50][O:62][C:54]([CH2:46][CH2:43][CH2:40][CH2:37]/[CH:34]=[CH:31]\[CH2:29]/[CH:27]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[CH2:51][O:64][P:66]([OH:60])(=[O:61])[O:63][CH2:49][CH2:48][N:56]=[C:53]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:57] |
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