| Properties | Image |
|---|
| MNX_ID | MNXM1371978 |
 |
| reference | biggM:CE4936 |
| formula | C25H39NO6S |
| global charge | 0 |
| mol weight | 481.655 |
| InChIKey | BGGYAYMMFYBWEX-HXDOPMNESA-N |
| InChI | InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21-,22-,23+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(C)=O)C(=O)O)[C@@H](O)CCCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21-,22-,23+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH:12]=[CH:13]\[CH:14]=[CH:17]\[C@H:23]([C@H:22]([CH2:16][CH2:15][CH2:18][C:24](=[O:29])[OH:30])[OH:28])[S:33][CH2:19][C@@H:21]([C:25](=[O:31])[OH:32])[N:26]=[C:20]([CH3:2])[OH:27] |
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