| Properties | Image |
|---|
| MNX_ID | MNXM1371115 |
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| reference | metacycM:GLUTATHIONYLSPERMIDINE |
| formula | C17H36N6O5S |
| global charge | 2 |
| mol weight | 436.579 |
| InChIKey | OAYJMZFEKFGKBY-STQMWFEESA-P |
| InChI | InChI=1S/C17H34N6O5S/c18-6-3-8-20-7-1-2-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/p+2/t12-,13-/m0/s1 |
| SMILES | [NH3+]CCC[NH2+]CCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C17H34N6O5S/c18-6-3-8-20-7-1-2-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:9][N:21]=[C:15]([CH2:10][N:22]=[C:16]([C@H:13]([CH2:11][SH:29])[N:23]=[C:14]([CH2:5][CH2:4][C@@H:12]([C:17](=[O:27])[OH:28])[NH2:19])[OH:24])[OH:26])[OH:25])[CH2:7][NH:20][CH2:8][CH2:3][CH2:6][NH2:18] |
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