| Properties | Image |
|---|
| MNX_ID | MNXM23671 |
 |
| reference | chebi:183169 |
| formula | C46H78NO7P |
| global charge | 0 |
| mol weight | 788.104 |
| InChIKey | TXHQKABDMABERL-HACJNBTNSA-N |
| InChI | InChI=1S/C46H78NO7P/c1-47(2,3)24-26-53-55(49,50)54-30-33(29-52-42(48)15-11-8-10-14-32-17-19-39-41(28-32)46-37-23-21-35(37)44(39)46)51-25-12-7-5-4-6-9-13-31-16-18-38-40(27-31)45-36-22-20-34(36)43(38)45/h31-41,43-46H,4-30H2,1-3H3/t31?,32?,33-,34?,35?,36?,37?,38?,39?,40?,41?,43?,44?,45?,46?/m1/s1 |
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCC1CCC2C(C1)C1C3CCC3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 |
MNX internals
| InChI (mnx) | InChI=1/C46H78NO7P/c1-47(2,3)24-26-53-55(49,50)54-30-33(29-52-42(48)15-11-8-10-14-32-17-19-39-41(28-32)46-37-23-21-35(37)44(39)46)51-25-12-7-5-4-6-9-13-31-16-18-38-40(27-31)45-36-22-20-34(36)43(38)45/h31-41,43-46H,4-30H2,1-3H3/t31?,32?,33-,34?,35?,36?,37?,38?,39?,40?,41?,43?,44?,45?,46?/m1/s1 |
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| SMILES (mnx) | [CH3:1][N+:47]([CH3:2])([CH3:3])[CH2:24][CH2:26][O:53][P:55](=[O:49])([O-:50])[O:54][CH2:30][C@@H:33]([CH2:29][O:52][C:42]([CH2:15][CH2:11][CH2:8][CH2:10][CH2:14][CH:32]1[CH2:17][CH2:19][CH:39]2[CH:41]([CH2:28]1)[CH:46]1[CH:37]3[CH2:23][CH2:21][CH:35]3[CH:44]21)=[O:48])[O:51][CH2:25][CH2:12][CH2:7][CH2:5][CH2:4][CH2:6][CH2:9][CH2:13][CH:31]1[CH2:16][CH2:18][CH:38]2[CH:40]([CH2:27]1)[CH:45]1[CH:36]3[CH2:22][CH2:20][CH:34]3[CH:43]21 |
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