| Properties | Image |
|---|
| MNX_ID | MNXM960925 |
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| reference | slm:000653310 |
| formula | C52H93NO9P |
| global charge | -1 |
| mol weight | 907.288 |
| InChIKey | XWWPOVZYMIVLPJ-ZJWNNLMVSA-M |
| InChI | InChI=1S/C52H94NO9P/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-26-30-34-38-42-51(55)59-46-49(62-52(56)43-39-35-31-27-24-25-29-32-36-40-48(3)4)47-61-63(57,58)60-45-44-53-50(54)41-37-33-28-12-10-8-6-2/h13-14,16-17,19-20,22-23,48-49H,5-12,15,18,21,24-47H2,1-4H3,(H,53,54)(H,57,58)/p-1/b14-13-,17-16-,20-19-,23-22-/t49-/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)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C52H94NO9P/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-26-30-34-38-42-51(55)59-46-49(62-52(56)43-39-35-31-27-24-25-29-32-36-40-48(3)4)47-61-63(57,58)60-45-44-53-50(54)41-37-33-28-12-10-8-6-2/h13-14,16-17,19-20,22-23,48-49H,5-12,15,18,21,24-47H2,1-4H3,(H,53,54)(H,57,58)/b14-13-,17-16-,20-19-,23-22-/t49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][C:51](=[O:55])[O:59][CH2:46][C@H:49]([CH2:47][O:61][P:63]([OH:57])(=[O:58])[O:60][CH2:45][CH2:44][N:53]=[C:50]([CH2:41][CH2:37][CH2:33][CH2:28][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:54])[O:62][C:52]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:24][CH2:25][CH2:29][CH2:32][CH2:36][CH2:40][CH:48]([CH3:3])[CH3:4])=[O:56] |
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