phytochelatin 2

Properties Image MNX_ID MNXM729988 reference chebi:64744 formula C18H29N5O10S2 global charge 0 mol weight 539.589 InChIKey CGZITCMVSSNQPE-NAKRPEOUSA-N InChI InChI=1S/C18H29N5O10S2/c19-8(17(30)31)1-3-12(24)22-11(7-35)16(29)23-9(18(32)33)2-4-13(25)21-10(6-34)15(28)20-5-14(26)27/h8-11,34-35H,1-7,19H2,(H,20,28)(H,21,25)(H,22,24)(H,23,29)(H,26,27)(H,30,31)(H,32,33)/t8-,9-,10-,11-/m0/s1 SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C18H29N5O10S2/c19-8(17(30)31)1-3-12(24)22-11(7-35)16(29)23-9(18(32)33)2-4-13(25)21-10(6-34)15(28)20-5-14(26)27/h8-11,34-35H,1-7,19H2,(H,20,28)(H,21,25)(H,22,24)(H,23,29)(H,26,27)(H,30,31)(H,32,33)/t8-,9-,10-,11-/m0/s1 SMILES (mnx) [CH2:1]([CH2:3][C:12](=[N:22][C@@H:11]([CH2:7][SH:35])[C:16](=[N:23][C@@H:9]([CH2:2][CH2:4][C:13](=[N:21][C@@H:10]([CH2:6][SH:34])[C:15](=[N:20][CH2:5][C:14](=[O:26])[OH:27])[OH:28])[OH:25])[C:18](=[O:32])[OH:33])[OH:29])[OH:24])[C@@H:8]([C:17](=[O:30])[OH:31])[NH2:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0