| Properties | Image |
|---|
| MNX_ID | MNXM215343 |
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| reference | slm:000471986 |
| formula | C39H75O13P2 |
| global charge | -3 |
| mol weight | 813.964 |
| InChIKey | FTMKLKIZIKOAIW-PQQNNWGCSA-K |
| InChI | InChI=1S/C39H78O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-39(42)52-37(34-51-54(46,47)50-32-36(40)31-49-53(43,44)45)33-48-38(41)29-26-23-20-18-15-16-19-22-25-28-35(2)3/h35-37,40H,4-34H2,1-3H3,(H,46,47)(H2,43,44,45)/p-3/t36-,37+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C39H78O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-39(42)52-37(34-51-54(46,47)50-32-36(40)31-49-53(43,44)45)33-48-38(41)29-26-23-20-18-15-16-19-22-25-28-35(2)3/h35-37,40H,4-34H2,1-3H3,(H,46,47)(H2,43,44,45)/t36-,37+/m0/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][CH2:17][CH2:21][CH2:24][CH2:27][CH2:30][C:39](=[O:42])[O:52][C@H:37]([CH2:33][O:48][C:38]([CH2:29][CH2:26][CH2:23][CH2:20][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH:35]([CH3:2])[CH3:3])=[O:41])[CH2:34][O:51][P:54]([OH:46])(=[O:47])[O:50][CH2:32][C@H:36]([CH2:31][O:49][P:53]([OH:43])([OH:44])=[O:45])[OH:40] |
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