| Properties | Image |
|---|
| MNX_ID | MNXM159909 |
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| reference | slm:000508968 |
| formula | C46H91NO12P |
| global charge | -1 |
| mol weight | 881.203 |
| InChIKey | DMFZITDFOBRMAE-BIDVXESVSA-M |
| InChI | InChI=1S/C46H92NO12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(49)46(55)47-37(36-58-60(56,57)59-45-43(53)41(51)40(50)42(52)44(45)54)38(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-45,48-54H,3-36H2,1-2H3,(H,47,55)(H,56,57)/p-1/t37-,38+,39?,40-,41-,42+,43+,44+,45-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H92NO12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(49)46(55)47-37(36-58-60(56,57)59-45-43(53)41(51)40(50)42(52)44(45)54)38(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-45,48-54H,3-36H2,1-2H3,(H,47,55)(H,56,57)/t37-,38+,39?,40-,41-,42+,43+,44+,45-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH:39]([C:46](=[N:47][C@@H:37]([CH2:36][O:58][P:60]([OH:56])(=[O:57])[O:59][C@H:45]1[C@H:43]([OH:53])[C@@H:41]([OH:51])[C@H:40]([OH:50])[C@@H:42]([OH:52])[C@H:44]1[OH:54])[C@@H:38]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:48])[OH:55])[OH:49] |
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