| Properties | Image |
|---|
| MNX_ID | MNXM63489 |
 |
| reference | biggM:anhgm3p |
| formula | C34H52N6O19 |
| global charge | -2 |
| mol weight | 848.813 |
| InChIKey | ZWZMFRJKRXDGBE-UHFFFAOYSA-L |
| InChI | InChI=1S/C34H54N6O19/c1-13(29(49)39-18(8-9-23(45)46)31(51)40-19(33(54)55)7-5-6-17(35)32(52)53)36-30(50)14(2)57-27-20(37-15(3)43)12-56-22(11-42)28(27)59-34-24(38-16(4)44)26(48)25(47)21(10-41)58-34/h12-14,17-19,21-22,24-28,34,41-42,47-48H,5-11,35H2,1-4H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,40,51)(H,45,46)(H,52,53)(H,54,55)/p-2 |
| SMILES | CC(=O)NC1=COC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C34H54N6O19/c1-13(29(49)39-18(8-9-23(45)46)31(51)40-19(33(54)55)7-5-6-17(35)32(52)53)36-30(50)14(2)57-27-20(37-15(3)43)12-56-22(11-42)28(27)59-34-24(38-16(4)44)26(48)25(47)21(10-41)58-34/h12-14,17-19,21-22,24-28,34,41-42,47-48H,5-11,35H2,1-4H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,40,51)(H,45,46)(H,52,53)(H,54,55)/t13?,14?,17?,18?,19?,21?,22?,24?,25?,26?,27?,28?,34? |
 |
| SMILES (mnx) | [CH3:1][CH:13]([C:29](=[N:39][CH:18]([CH2:8][CH2:9][C:23](=[O:45])[OH:46])[C:31](=[N:40][CH:19]([CH2:7][CH2:5][CH2:6][CH:17]([C:32](=[O:52])[OH:53])[NH2:35])[C:33](=[O:54])[OH:55])[OH:51])[OH:49])[N:36]=[C:30]([CH:14]([CH3:2])[O:57][CH:27]1[C:20]([N:37]=[C:15]([CH3:3])[OH:43])=[CH:12][O:56][CH:22]([CH2:11][OH:42])[CH:28]1[O:59][CH:34]1[CH:24]([N:38]=[C:16]([CH3:4])[OH:44])[CH:26]([OH:48])[CH:25]([OH:47])[CH:21]([CH2:10][OH:41])[O:58]1)[OH:50] |
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