| Properties | Image |
|---|
| MNX_ID | MNXM1134173 |
 |
| reference | metacycM:CPD1A0-6185 |
| formula | C28H49N3O10PS*2 |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCC)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C30H56N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-24(35)20-27(37)45-19-18-32-26(36)16-17-33-29(39)28(38)30(3,4)22-43-44(40,41)42-21-25(31-5)23(2)34/h25,28,31,38H,6-22H2,1-5H3,(H,32,36)(H,33,39)(H,40,41)/t25-,28-/m0/s1/i2+1,5+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:24]([CH2:20][C:27](=[O:37])[S:45][CH2:19][CH2:18][N:32]=[C:26]([CH2:16][CH2:17][N:33]=[C:29]([C@@H:28]([C:30]([CH3:3])([CH3:4])[CH2:22][O:43][P:44]([OH:40])(=[O:41])[O:42][CH2:21][C@@H:25]([C:23]([13CH3:2])=[O:34])[NH:31][13CH3:5])[OH:38])[OH:39])[OH:36])=[O:35] |
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