| Properties | Image |
|---|
| MNX_ID | MNXM336129 |
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| reference | slm:000443495 |
| formula | C40H71O22P4 |
| global charge | -7 |
| mol weight | 1027.882 |
| InChIKey | UNHWXMYFBOXTPR-UAQPXKOXSA-G |
| InChI | InChI=1S/C40H78O22P4/c1-4-5-6-7-8-9-11-15-18-21-24-27-33(41)56-29-32(58-34(42)28-25-22-19-16-13-10-12-14-17-20-23-26-31(2)3)30-57-66(54,55)62-37-35(43)38(59-63(45,46)47)40(61-65(51,52)53)39(36(37)44)60-64(48,49)50/h7-8,31-32,35-40,43-44H,4-6,9-30H2,1-3H3,(H,54,55)(H2,45,46,47)(H2,48,49,50)(H2,51,52,53)/p-7/b8-7-/t32-,35+,36+,37-,38+,39-,40-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C40H78O22P4/c1-4-5-6-7-8-9-11-15-18-21-24-27-33(41)56-29-32(58-34(42)28-25-22-19-16-13-10-12-14-17-20-23-26-31(2)3)30-57-66(54,55)62-37-35(43)38(59-63(45,46)47)40(61-65(51,52)53)39(36(37)44)60-64(48,49)50/h7-8,31-32,35-40,43-44H,4-6,9-30H2,1-3H3,(H,54,55)(H2,45,46,47)(H2,48,49,50)(H2,51,52,53)/b8-7-/t32-,35+,36+,37-,38+,39-,40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9][CH2:11][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][C:33](=[O:41])[O:56][CH2:29][C@H:32]([CH2:30][O:57][P:66]([OH:54])(=[O:55])[O:62][C@@H:37]1[C@H:35]([OH:43])[C@H:38]([O:59][P:63]([OH:45])([OH:46])=[O:47])[C@@H:40]([O:61][P:65]([OH:51])([OH:52])=[O:53])[C@H:39]([O:60][P:64]([OH:48])([OH:49])=[O:50])[C@H:36]1[OH:44])[O:58][C:34]([CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:13][CH2:10][CH2:12][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH:31]([CH3:2])[CH3:3])=[O:42] |
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