| Properties | Image |
|---|
| MNX_ID | MNXM1053479 |
 |
| reference | slm:000745879 |
| formula | C44H79N3O15P2 |
| global charge | -2 |
| mol weight | 952.07 |
| InChIKey | XKEYLLQOHKYLLB-UYZJBCIGSA-L |
| InChI | InChI=1S/C44H81N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-40(49)57-33-37(60-36(2)48)34-58-63(53,54)62-64(55,56)59-35-38-41(50)42(51)43(61-38)47-32-31-39(45)46-44(47)52/h31-32,37-38,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/p-2/t37-,38-,41-,42-,43-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C44H81N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-40(49)57-33-37(60-36(2)48)34-58-63(53,54)62-64(55,56)59-35-38-41(50)42(51)43(61-38)47-32-31-39(45)46-44(47)52/h31-32,37-38,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t37-,38-,41-,42-,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:40](=[O:49])[O:57][CH2:33][C@H:37]([CH2:34][O:58][P:63]([OH:53])(=[O:54])[O:62][P:64]([OH:55])(=[O:56])[O:59][CH2:35][C@@H:38]1[C@@H:41]([OH:50])[C@@H:42]([OH:51])[C@H:43]([N:47]2[CH:32]=[CH:31][C:39](=[NH:45])[N:46]=[C:44]2[OH:52])[O:61]1)[O:60][C:36]([CH3:2])=[O:48] |
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