| Properties | Image |
|---|
| MNX_ID | MNXM736328 |
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| reference | biggM:cdpdtdecg |
| formula | C40H71N3O15P2 |
| global charge | -2 |
| mol weight | 895.962 |
| InChIKey | ICFWXMWHAMIZGF-UHFFFAOYSA-L |
| InChI | InChI=1S/C40H73N3O15P2/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/h27-28,32-33,37-39,46-47H,3-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/p-2 |
| SMILES | CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2ccc(N)nc2=O)C(O)C1O)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H73N3O15P2/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/h27-28,32-33,37-39,46-47H,3-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/t32?,33?,37?,38?,39? |
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| SMILES (mnx) | [CH3:1][CH:2]1[CH:3]([O:53]2[O:54]=[O:55][O:56]([PH2:60])=[O:57][O:58]2=[PH:59])[CH2:4][CH:5]([CH2:6][CH2:7][C:8]([CH3:9])(=[CH2:10])[CH2:11][C:12]([CH3:13])(=[CH2:14])[CH2:15][CH2:16][CH:17]([CH2:18][C:19](=[CH2:20])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][C:36](=[CH2:37])[CH2:38][CH2:39][CH2:40][NH:41][NH:42][NH:43][O:44][O:45][O:46][O:47][O:48][O:49][OH:50])[O:51]1[OH:52] |
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