**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

3-Deazaadenosylhomocysteine

Properties Image MNX_ID MNXM166156 reference sabiorkM:23235 formula C15H21N5O5S global charge 0 mol weight 383.43 InChIKey KXHTUDZDRGHVIU-AUXCFHMMSA-N InChI InChI=1S/C15H21N5O5S/c16-7(15(23)24)2-4-26-5-9-11(21)12(22)14(25-9)20-6-19-10-8(20)1-3-18-13(10)17/h1,3,6-7,9,11-12,14,21-22H,2,4-5,16H2,(H2,17,18)(H,23,24)/t7-,9+,11+,12+,14?/m0/s1 SMILES N=C1NC=CC2=C1N=CN2C1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C15H21N5O5S/c16-7(15(23)24)2-4-26-5-9-11(21)12(22)14(25-9)20-6-19-10-8(20)1-3-18-13(10)17/h1,3,6-7,9,11-12,14,21-22H,2,4-5,16H2,(H2,17,18)(H,23,24)/t7-,9+,11+,12+,14?/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][NH:18][C:13](=[NH:17])[C:10]2=[C:8]1[N:20]([CH:14]1[C@H:12]([OH:22])[C@H:11]([OH:21])[C@@H:9]([CH2:5][S:26][CH2:4][CH2:2][C@@H:7]([C:15](=[O:23])[OH:24])[NH2:16])[O:25]1)[CH:6]=[N:19]2

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
sabiork.compound:23235 sabiorkM:23235 KXHTUDZDRGHVIU-AUXCFHMMSA-N	3-Deazaadenosylhomocysteine