| Properties | Image |
|---|
| MNX_ID | MNXM357023 |
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| reference | slm:000437731 |
| formula | C47H89O16P2 |
| global charge | -3 |
| mol weight | 972.161 |
| InChIKey | JOBXNQDZFDXCEB-OGSVHCRPSA-K |
| InChI | InChI=1S/C47H92O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-40(48)59-36-39(61-41(49)35-32-29-26-23-20-17-18-21-24-27-30-33-38(2)3)37-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h38-39,42-47,50-53H,4-37H2,1-3H3,(H,57,58)(H2,54,55,56)/p-3/t39-,42-,43-,44-,45-,46+,47-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C47H92O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-40(48)59-36-39(61-41(49)35-32-29-26-23-20-17-18-21-24-27-30-33-38(2)3)37-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h38-39,42-47,50-53H,4-37H2,1-3H3,(H,57,58)(H2,54,55,56)/t39-,42-,43-,44-,45-,46+,47-/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][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][C:40](=[O:48])[O:59][CH2:36][C@H:39]([CH2:37][O:60][P:65]([OH:57])(=[O:58])[O:63][C@@H:47]1[C@H:44]([OH:52])[C@H:42]([OH:50])[C@@H:43]([OH:51])[C@H:46]([O:62][P:64]([OH:54])([OH:55])=[O:56])[C@H:45]1[OH:53])[O:61][C:41]([CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH2:33][CH:38]([CH3:2])[CH3:3])=[O:49] |
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