| Properties | Image |
|---|
| MNX_ID | MNXM13935 |
 |
| reference | metacycM:CPD-12644 |
| formula | C42H80NO9P |
| global charge | 0 |
| mol weight | 774.074 |
| InChIKey | HZKBHRZARZUXPO-JLBYXMBLSA-N |
| InChI | InChI=1S/C42H80NO9P/c1-6-8-10-11-12-13-14-15-16-17-21-24-28-32-41(44)48-36-38(37-50-53(46,47)49-35-34-43(3,4)5)51-42(45)33-29-25-22-19-18-20-23-27-31-40-39(52-40)30-26-9-7-2/h23,27,38-40H,6-22,24-26,28-37H2,1-5H3/b27-23-/t38-,39?,40?/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CC1OC1CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H80NO9P/c1-6-8-10-11-12-13-14-15-16-17-21-24-28-32-41(44)48-36-38(37-50-53(46,47)49-35-34-43(3,4)5)51-42(45)33-29-25-22-19-18-20-23-27-31-40-39(52-40)30-26-9-7-2/h23,27,38-40H,6-22,24-26,28-37H2,1-5H3/b27-23-/t38-,39?,40?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:24][CH2:28][CH2:32][C:41](=[O:44])[O:48][CH2:36][C@H:38]([CH2:37][O:50][P:53](=[O:46])([O-:47])[O:49][CH2:35][CH2:34][N+:43]([CH3:3])([CH3:4])[CH3:5])[O:51][C:42]([CH2:33][CH2:29][CH2:25][CH2:22][CH2:19][CH2:18][CH2:20]/[CH:23]=[CH:27]\[CH2:31][CH:40]1[CH:39]([CH2:30][CH2:26][CH2:9][CH2:7][CH3:2])[O:52]1)=[O:45] |
|