| Properties | Image |
|---|
| MNX_ID | MNXM953127 |
 |
| reference | slm:000645512 |
| formula | C55H95NO9P |
| global charge | -1 |
| mol weight | 945.337 |
| InChIKey | YEVITAMRBVIVLK-PSEUCSJOSA-M |
| InChI | InChI=1S/C55H96NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-37-40-43-46-54(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)47-44-41-38-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-25,29,31,52H,4-7,9-10,12-15,20-21,26-28,30,32-51H2,1-3H3,(H,56,57)(H,60,61)/p-1/b11-8-,18-16-,19-17-,24-22-,25-23-,31-29-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H96NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-37-40-43-46-54(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)47-44-41-38-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-25,29,31,52H,4-7,9-10,12-15,20-21,26-28,30,32-51H2,1-3H3,(H,56,57)(H,60,61)/b11-8-,18-16-,19-17-,24-22-,25-23-,31-29-/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]\[CH2:26][CH2:28][CH2:30][CH2:32][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]/[CH:31]=[CH:29]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:59] |
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