| Properties | Image |
|---|
| MNX_ID | MNXM727269 |
 |
| reference | biggM:u23ga |
| formula | C43H75N3O20P2 |
| global charge | -2 |
| mol weight | 1016.022 |
| InChIKey | KOJCFMYSTWNMQW-UHFFFAOYSA-L |
| InChI | InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/p-2 |
| SMILES | CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)([O-])OP(=O)([O-])OCC2OC(N3C=CC(=O)NC3=O)C(O)C2O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29?,30?,31?,32?,36?,37?,38?,39?,40?,41?,42? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH:29]([CH2:25][C:34](=[N:44][CH:36]1[CH:40]([O:64][C:35]([CH2:26][CH:30]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:49])=[O:52])[CH:38]([OH:54])[CH:31]([CH2:27][OH:47])[O:63][CH:42]1[O:65][P:68]([OH:59])(=[O:60])[O:66][P:67]([OH:57])(=[O:58])[O:61][CH2:28][CH:32]1[CH:37]([OH:53])[CH:39]([OH:55])[CH:41]([N:46]2[CH:24]=[CH:23][C:33]([OH:50])=[N:45][C:43]2=[O:56])[O:62]1)[OH:51])[OH:48] |
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