| Properties | Image |
|---|
| MNX_ID | MNXM960813 |
 |
| reference | slm:000653198 |
| formula | C55H97NO9P |
| global charge | -1 |
| mol weight | 947.353 |
| InChIKey | JQCQHWQADPFMKX-SMMPQOGWSA-M |
| InChI | InChI=1S/C55H98NO9P/c1-4-7-10-13-16-18-20-22-24-25-26-27-29-30-32-34-37-40-43-46-54(58)62-50-52(51-64-66(60,61)63-49-48-56-53(57)45-42-39-36-15-12-9-6-3)65-55(59)47-44-41-38-35-33-31-28-23-21-19-17-14-11-8-5-2/h16,18,22-24,26-28,30,32,52H,4-15,17,19-21,25,29,31,33-51H2,1-3H3,(H,56,57)(H,60,61)/p-1/b18-16-,24-22-,27-26-,28-23-,32-30-/t52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H98NO9P/c1-4-7-10-13-16-18-20-22-24-25-26-27-29-30-32-34-37-40-43-46-54(58)62-50-52(51-64-66(60,61)63-49-48-56-53(57)45-42-39-36-15-12-9-6-3)65-55(59)47-44-41-38-35-33-31-28-23-21-19-17-14-11-8-5-2/h16,18,22-24,26-28,30,32,52H,4-15,17,19-21,25,29,31,33-51H2,1-3H3,(H,56,57)(H,60,61)/b18-16-,24-22-,27-26-,28-23-,32-30-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:29]/[CH:30]=[CH:32]\[CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:54](=[O:58])[O:62][CH2:50][C@H:52]([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][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:57])[O:65][C:55]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:31]/[CH:28]=[CH:23]\[CH2:21][CH2:19][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
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