| Properties | Image |
|---|
| MNX_ID | MNXM952999 |
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| reference | slm:000645384 |
| formula | C51H95NO9P |
| global charge | -1 |
| mol weight | 897.293 |
| InChIKey | JUSZZPPWVAIDHU-NWFGWYPUSA-M |
| InChI | InChI=1S/C51H96NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-42-50(54)58-46-48(47-60-62(56,57)59-45-44-52-49(53)41-38-9-6-3)61-51(55)43-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h14,16,20,22,48H,4-13,15,17-19,21,23-47H2,1-3H3,(H,52,53)(H,56,57)/p-1/b16-14-,22-20-/t48-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H96NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-42-50(54)58-46-48(47-60-62(56,57)59-45-44-52-49(53)41-38-9-6-3)61-51(55)43-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h14,16,20,22,48H,4-13,15,17-19,21,23-47H2,1-3H3,(H,52,53)(H,56,57)/b16-14-,22-20-/t48-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][C:50](=[O:54])[O:58][CH2:46][C@H:48]([CH2:47][O:60][P:62]([OH:56])(=[O:57])[O:59][CH2:45][CH2:44][N:52]=[C:49]([CH2:41][CH2:38][CH2:9][CH2:6][CH3:3])[OH:53])[O:61][C:51]([CH2:43][CH2:40][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55] |
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