| Properties | Image |
|---|
| MNX_ID | MNXM214880 |
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| reference | slm:000439984 |
| formula | C44H81O22P4 |
| global charge | -7 |
| mol weight | 1086.006 |
| InChIKey | JBELURQIENOBJB-TURONFGOSA-G |
| InChI | InChI=1S/C44H88O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-38(46)62-36(33-60-37(45)31-28-25-22-20-17-18-21-24-27-30-35(2)3)34-61-70(58,59)66-41-39(47)42(63-67(49,50)51)44(65-69(55,56)57)43(40(41)48)64-68(52,53)54/h35-36,39-44,47-48H,4-34H2,1-3H3,(H,58,59)(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)/p-7/t36-,39+,40+,41-,42+,43-,44-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C44H88O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-38(46)62-36(33-60-37(45)31-28-25-22-20-17-18-21-24-27-30-35(2)3)34-61-70(58,59)66-41-39(47)42(63-67(49,50)51)44(65-69(55,56)57)43(40(41)48)64-68(52,53)54/h35-36,39-44,47-48H,4-34H2,1-3H3,(H,58,59)(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)/t36-,39+,40+,41-,42+,43-,44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:23][CH2:26][CH2:29][CH2:32][C:38](=[O:46])[O:62][C@H:36]([CH2:33][O:60][C:37]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:20][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH:35]([CH3:2])[CH3:3])=[O:45])[CH2:34][O:61][P:70]([OH:58])(=[O:59])[O:66][C@@H:41]1[C@H:39]([OH:47])[C@H:42]([O:63][P:67]([OH:49])([OH:50])=[O:51])[C@@H:44]([O:65][P:69]([OH:55])([OH:56])=[O:57])[C@H:43]([O:64][P:68]([OH:52])([OH:53])=[O:54])[C@H:40]1[OH:48] |
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