PDB CCD ID: | CBH |
Number of entries in BioLiP: | 2 |
Chemical formula: | C9 H17 N O4 S |
InChI: | InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1 |
InChIKey: | BMONDXDFXRPNKQ-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | C(CCSCC[C@@H](C(=O)O)N)CC(=O)O | CACTVS 3.341 | N[C@@H](CCSCCCCC(O)=O)C(O)=O | CACTVS 3.341 | N[CH](CCSCCCCC(O)=O)C(O)=O | OpenEye OEToolkits 1.5.0 | C(CCSCCC(C(=O)O)N)CC(=O)O | ACDLabs 10.04 | O=C(O)CCCCSCCC(C(=O)O)N |
|
Name: | S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE |
DrugBank: | DB02337 |
ZINC: | ZINC000002047772 |