| Properties | Image |
|---|
| MNX_ID | MNXM736325 |
 |
| reference | biggM:cdpdtdec7eg |
| formula | C40H67N3O15P2 |
| global charge | -2 |
| mol weight | 891.93 |
| InChIKey | VDJIEKQUDMPHPA-UHFFFAOYSA-L |
| InChI | InChI=1S/C40H69N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(44)53-29-32(56-36(45)26-24-22-20-18-16-14-12-10-8-6-4-2)30-54-59(49,50)58-60(51,52)55-31-33-37(46)38(47)39(57-33)43-28-27-34(41)42-40(43)48/h13-16,27-28,32-33,37-39,46-47H,3-12,17-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/p-2 |
| SMILES | CCCCCCC=CCCCCCC(=O)OCC(COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=CC(N)=NC2=O)C(O)C1O)OC(=O)CCCCCC=CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H69N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(44)53-29-32(56-36(45)26-24-22-20-18-16-14-12-10-8-6-4-2)30-54-59(49,50)58-60(51,52)55-31-33-37(46)38(47)39(57-33)43-28-27-34(41)42-40(43)48/h13-16,27-28,32-33,37-39,46-47H,3-12,17-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/b15-13?,16-14?/t32?,33?,37?,38?,39? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][C:35](=[O:44])[O:53][CH2:29][CH:32]([CH2:30][O:54][P:59]([OH:49])(=[O:50])[O:58][P:60]([OH:51])(=[O:52])[O:55][CH2:31][CH:33]1[CH:37]([OH:46])[CH:38]([OH:47])[CH:39]([N:43]2[CH:28]=[CH:27][C:34](=[NH:41])[N:42]=[C:40]2[OH:48])[O:57]1)[O:56][C:36]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH:16]=[CH:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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