| Properties | Image |
|---|
| MNX_ID | MNXM343635 |
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| reference | slm:000443733 |
| formula | C30H53O22P4 |
| global charge | -7 |
| mol weight | 889.628 |
| InChIKey | HNSIARNLDVYEQE-PBSZHUEMSA-G |
| InChI | InChI=1S/C30H60O22P4/c1-4-16-23(31)46-19-22(48-24(32)18-15-13-11-9-7-5-6-8-10-12-14-17-21(2)3)20-47-56(44,45)52-27-25(33)28(49-53(35,36)37)30(51-55(41,42)43)29(26(27)34)50-54(38,39)40/h21-22,25-30,33-34H,4-20H2,1-3H3,(H,44,45)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/p-7/t22-,25+,26+,27-,28+,29-,30-/m1/s1 |
| SMILES | CCCC(=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/C30H60O22P4/c1-4-16-23(31)46-19-22(48-24(32)18-15-13-11-9-7-5-6-8-10-12-14-17-21(2)3)20-47-56(44,45)52-27-25(33)28(49-53(35,36)37)30(51-55(41,42)43)29(26(27)34)50-54(38,39)40/h21-22,25-30,33-34H,4-20H2,1-3H3,(H,44,45)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/t22-,25+,26+,27-,28+,29-,30-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:16][C:23](=[O:31])[O:46][CH2:19][C@H:22]([CH2:20][O:47][P:56]([OH:44])(=[O:45])[O:52][C@@H:27]1[C@H:25]([OH:33])[C@H:28]([O:49][P:53]([OH:35])([OH:36])=[O:37])[C@@H:30]([O:51][P:55]([OH:41])([OH:42])=[O:43])[C@H:29]([O:50][P:54]([OH:38])([OH:39])=[O:40])[C@H:26]1[OH:34])[O:48][C:24]([CH2:18][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:17][CH:21]([CH3:2])[CH3:3])=[O:32] |
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