| Properties | Image |
|---|
| MNX_ID | MNXM962169 |
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| reference | slm:000654554 |
| formula | C54H97NO9P |
| global charge | -1 |
| mol weight | 935.342 |
| InChIKey | IVXPKNHKWOFIGB-KEQQNHCYSA-M |
| InChI | InChI=1S/C54H98NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-30-31-33-35-37-39-42-45-53(57)61-49-51(50-63-65(59,60)62-48-47-55-52(56)44-41-9-6-3)64-54(58)46-43-40-38-36-34-32-29-23-21-19-17-15-13-11-8-5-2/h14,16,20,22,25-26,28,30,51H,4-13,15,17-19,21,23-24,27,29,31-50H2,1-3H3,(H,55,56)(H,59,60)/p-1/b16-14-,22-20-,26-25-,30-28-/t51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-30-31-33-35-37-39-42-45-53(57)61-49-51(50-63-65(59,60)62-48-47-55-52(56)44-41-9-6-3)64-54(58)46-43-40-38-36-34-32-29-23-21-19-17-15-13-11-8-5-2/h14,16,20,22,25-26,28,30,51H,4-13,15,17-19,21,23-24,27,29,31-50H2,1-3H3,(H,55,56)(H,59,60)/b16-14-,22-20-,26-25-,30-28-/t51-/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]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:30]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:42][CH2:45][C:53](=[O:57])[O:61][CH2:49][C@H:51]([CH2:50][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:48][CH2:47][N:55]=[C:52]([CH2:44][CH2:41][CH2:9][CH2:6][CH3:3])[OH:56])[O:64][C:54]([CH2:46][CH2:43][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58] |
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