| Properties | Image |
|---|
| MNX_ID | MNXM4507 |
 |
| reference | biggM:cdpdddecg |
| formula | C36H63N3O15P2 |
| global charge | -2 |
| mol weight | 839.854 |
| InChIKey | PTPPKXVNJJIECF-UHFFFAOYSA-L |
| InChI | InChI=1S/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/p-2 |
| SMILES | CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=CC(N)=NC2=O)C(O)C1O)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/t28?,29?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][C:31](=[O:40])[O:49][CH2:25][CH:28]([CH2:26][O:50][P:55]([OH:45])(=[O:46])[O:54][P:56]([OH:47])(=[O:48])[O:51][CH2:27][CH:29]1[CH:33]([OH:42])[CH:34]([OH:43])[CH:35]([N:39]2[CH:24]=[CH:23][C:30](=[NH:37])[N:38]=[C:36]2[OH:44])[O:53]1)[O:52][C:32]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41] |
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