| Properties | Image |
|---|
| MNX_ID | MNXM1048778 |
 |
| reference | slm:000741171 |
| formula | C42H75N3O15P2 |
| global charge | -2 |
| mol weight | 924.016 |
| InChIKey | QYPJWWPHCAROCH-HUKRWTLJSA-L |
| InChI | InChI=1S/C42H77N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-38(47)58-34(31-55-37(46)27-25-23-21-19-14-12-10-8-6-4-2)32-56-61(51,52)60-62(53,54)57-33-35-39(48)40(49)41(59-35)45-30-29-36(43)44-42(45)50/h29-30,34-35,39-41,48-49H,3-28,31-33H2,1-2H3,(H,51,52)(H,53,54)(H2,43,44,50)/p-2/t34-,35-,39-,40-,41-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C42H77N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-38(47)58-34(31-55-37(46)27-25-23-21-19-14-12-10-8-6-4-2)32-56-61(51,52)60-62(53,54)57-33-35-39(48)40(49)41(59-35)45-30-29-36(43)44-42(45)50/h29-30,34-35,39-41,48-49H,3-28,31-33H2,1-2H3,(H,51,52)(H,53,54)(H2,43,44,50)/t34-,35-,39-,40-,41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:38](=[O:47])[O:58][C@H:34]([CH2:31][O:55][C:37]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46])[CH2:32][O:56][P:61]([OH:51])(=[O:52])[O:60][P:62]([OH:53])(=[O:54])[O:57][CH2:33][C@@H:35]1[C@@H:39]([OH:48])[C@@H:40]([OH:49])[C@H:41]([N:45]2[CH:30]=[CH:29][C:36](=[NH:43])[N:44]=[C:42]2[OH:50])[O:59]1 |
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