| Properties | Image |
|---|
| MNX_ID | MNXM362168 |
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| reference | slm:000444243 |
| formula | C42H75O22P4 |
| global charge | -7 |
| mol weight | 1055.936 |
| InChIKey | OBPPHZWRYDMABK-JHKQDYFJSA-G |
| InChI | InChI=1S/C42H82O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35(43)58-32-34(60-36(44)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)33-59-68(56,57)64-39-37(45)40(61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h14,16,34,37-42,45-46H,3-13,15,17-33H2,1-2H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/p-7/b16-14-/t34-,37+,38+,39-,40+,41-,42-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)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/C42H82O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35(43)58-32-34(60-36(44)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)33-59-68(56,57)64-39-37(45)40(61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h14,16,34,37-42,45-46H,3-13,15,17-33H2,1-2H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/b16-14-/t34-,37+,38+,39-,40+,41-,42-/m1/s1 |
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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][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:35](=[O:43])[O:58][CH2:32][C@H:34]([CH2:33][O:59][P:68]([OH:56])(=[O:57])[O:64][C@@H:39]1[C@H:37]([OH:45])[C@H:40]([O:61][P:65]([OH:47])([OH:48])=[O:49])[C@@H:42]([O:63][P:67]([OH:53])([OH:54])=[O:55])[C@H:41]([O:62][P:66]([OH:50])([OH:51])=[O:52])[C@H:38]1[OH:46])[O:60][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44] |
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