| Properties | Image | with InChI numbering | Occurences in reactions |
MNX_ID | MNXM8842 |
 |
 |
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 4 |
in models (compartimentalized) |
3 |
|
formula | C31H64NO3 |
charge | 1 |
mass | 498.857 |
reference | biggM:lgnccrn |
InChIKey | WMMCQGKGLKWABC-SSEXGKCCSA-O |
InChI | InChI=1S/C31H63NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-35-30(28-31(33)34)29-32(2,3)4/h30H,5-29H2,1-4H3/p+1/t30-/m1/s1 |
SMILES | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][O:35][C@H:30]([CH2:28][C:31](=[O:33])[O-:34])[CH2:29][N+:32]([CH3:2])([CH3:3])[CH3:4] |