| Properties | Image |
|---|
| MNX_ID | MNXM1034245 |
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| reference | slm:000726634 |
| formula | C51H93NO8P |
| global charge | -1 |
| mol weight | 879.278 |
| InChIKey | CBIPGNSVAAJPTF-FHXQGXFQSA-M |
| InChI | InChI=1S/C51H94NO8P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-41-45-57-47-49(48-59-61(55,56)58-46-44-52-50(53)42-39-9-6-3)60-51(54)43-40-37-35-33-31-29-27-21-19-17-15-13-11-8-5-2/h8,11,15,17,21,27,31,33,49H,4-7,9-10,12-14,16,18-20,22-26,28-30,32,34-48H2,1-3H3,(H,52,53)(H,55,56)/p-1/b11-8-,17-15-,27-21-,33-31-/t49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H94NO8P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-41-45-57-47-49(48-59-61(55,56)58-46-44-52-50(53)42-39-9-6-3)60-51(54)43-40-37-35-33-31-29-27-21-19-17-15-13-11-8-5-2/h8,11,15,17,21,27,31,33,49H,4-7,9-10,12-14,16,18-20,22-26,28-30,32,34-48H2,1-3H3,(H,52,53)(H,55,56)/b11-8-,17-15-,27-21-,33-31-/t49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:41][CH2:45][O:57][CH2:47][C@H:49]([CH2:48][O:59][P:61]([OH:55])(=[O:56])[O:58][CH2:46][CH2:44][N:52]=[C:50]([CH2:42][CH2:39][CH2:9][CH2:6][CH3:3])[OH:53])[O:60][C:51]([CH2:43][CH2:40][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:54] |
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