| Properties | Image |
|---|
| MNX_ID | MNXM3075 |
 |
| reference | biggM:ocdcaACP |
| formula | C29H55N2O8PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C30H59N2O8PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)42-24-23-31-26(33)21-22-32-29(36)28(35)30(2,3)25-40-41(37,38)39-4/h28,35H,5-25H2,1-4H3,(H,31,33)(H,32,36)(H,37,38)/t28?/i4+1 |
 |
| SMILES (mnx) | [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][C:27](=[O:34])[S:42][CH2:24][CH2:23][N:31]=[C:26]([CH2:21][CH2:22][N:32]=[C:29]([CH:28]([C:30]([CH3:2])([CH3:3])[CH2:25][O:40][P:41]([OH:37])(=[O:38])[O:39][13CH3:4])[OH:35])[OH:36])[OH:33] |
|