| Properties | Image |
|---|
| MNX_ID | MNXM740000 |
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| reference | biggM:ps180 |
| formula | C42H80NO10P |
| global charge | -2 |
| mol weight | 790.073 |
| InChIKey | PWHACAFRQHYNMS-UHFFFAOYSA-L |
| InChI | InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-37-39(38-52-54(48,49)51-36-35-43-42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39,43H,3-38H2,1-2H3,(H,46,47)(H,48,49)/p-2 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)[O-])OC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-37-39(38-52-54(48,49)51-36-35-43-42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39,43H,3-38H2,1-2H3,(H,46,47)(H,48,49)/t39? |
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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][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:44])[O:50][CH2:37][CH:39]([CH2:38][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:36][CH2:35][NH:43][C:42](=[O:46])[OH:47])[O:53][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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