# Copyright © SRI International 1996,1999-2007, Marine Biological Laboratory 1996-2001, DoubleTwist Inc. 1997-1999. All Rights Reserved. # Please see the license agreement regarding the use of and distribution of this file. # The format of this file is defined at http://bioinformatics.ai.sri.com/ptools/flatfile-format.html . # # Species: E. coli K-12 # Database: EcoCyc # Version: 11.5 # File Name: compounds.dat # Date and time generated: August 6, 2007, 17:31:46 # # Attributes: # UNIQUE-ID # TYPES # COMMON-NAME # ABBREV-NAME # ACTIVATORS-ALLOSTERIC-OF # ACTIVATORS-NONALLOSTERIC-OF # ACTIVATORS-UNKMECH-OF # APPEARS-IN-BINDING-REACTIONS # ATOM-CHARGES # CHARGE # CHEMICAL-FORMULA # CITATIONS # COFACTORS-OF # COFACTORS-OR-PROSTHETIC-GROUPS-OF # COMMENT # COMPONENT-OF # CREDITS # DATA-SOURCE # DBLINKS # INHIBITORS-ALLOSTERIC-OF # INHIBITORS-COMPETITIVE-OF # INHIBITORS-IRREVERSIBLE-OF # INHIBITORS-NONCOMPETITIVE-OF # INHIBITORS-OTHER-OF # INHIBITORS-UNCOMPETITIVE-OF # INHIBITORS-UNKMECH-OF # MOLECULAR-WEIGHT # N+1-NAME # N-1-NAME # N-NAME # PKA1 # PKA2 # PKA3 # PROSTHETIC-GROUPS-OF # REGULATES # SMILES # SUPERATOMS # SYNONYMS # SYSTEMATIC-NAME # UNIQUE-ID - PYRIDOXINE-5P TYPES - Vitamins-B6 COMMON-NAME - pyridoxine-5'-phosphate CHEMICAL-FORMULA - (C 8) CHEMICAL-FORMULA - (H 12) CHEMICAL-FORMULA - (N 1) CHEMICAL-FORMULA - (O 6) CHEMICAL-FORMULA - (P 1) DBLINKS - (CAS "447-05-2" NIL |kr| 3346617701 NIL NIL) DBLINKS - (LIGAND-CPD "C00627" NIL |kr| 3346617701 NIL NIL) MOLECULAR-WEIGHT - 249.16 REGULATES - REG0-8521 SMILES - c1(c(c(CO)c(O)c(C)n1)COP(=O)(O)O) SYNONYMS - pyridoxine-phosphate SYNONYMS - pyridoxine-5P SYNONYMS - pyridoxine-P // UNIQUE-ID - PYRIDOXINE TYPES - Vitamins-B6 COMMON-NAME - pyridoxine CHEMICAL-FORMULA - (C 8) CHEMICAL-FORMULA - (H 11) CHEMICAL-FORMULA - (N 1) CHEMICAL-FORMULA - (O 3) DBLINKS - (LIGAND-CPD "C00314" NIL |kr| 3346617701 NIL NIL) DBLINKS - (CAS "65-23-6") MOLECULAR-WEIGHT - 169.18 REGULATES - REG0-8928 SMILES - C(O)c1(c(CO)cnc(C)c(O)1) SYNONYMS - vitamin B6 SYNONYMS - 2-methyl-3-hydroxy-4,5-bis(hydroxy-methyl) pyridine // UNIQUE-ID - PYRIDOXAMINE-5P TYPES - Vitamins-B6 COMMON-NAME - pyridoxamine 5'-phosphate CHEMICAL-FORMULA - (C 8) CHEMICAL-FORMULA - (H 13) CHEMICAL-FORMULA - (N 2) CHEMICAL-FORMULA - (O 5) CHEMICAL-FORMULA - (P 1) DBLINKS - (CAS "529-96-4" NIL |kr| 3346617699 NIL NIL) DBLINKS - (LIGAND-CPD "C00647" NIL |kr| 3346617699 NIL NIL) MOLECULAR-WEIGHT - 248.175 REGULATES - REG0-7448 REGULATES - REG0-6979 SMILES - C(N)c1(c(COP(O)(=O)O)cnc(C)c(O)1) SYNONYMS - pyridoxamine phosphate // UNIQUE-ID - PYRIDOXAMINE TYPES - Vitamins-B6 COMMON-NAME - pyridoxamine CHEMICAL-FORMULA - (C 8) CHEMICAL-FORMULA - (H 12) CHEMICAL-FORMULA - (N 2) CHEMICAL-FORMULA - (O 2) DBLINKS - (LIGAND-CPD "C00534" NIL |kr| 3346617699 NIL NIL) DBLINKS - (CAS "85-87-0") MOLECULAR-WEIGHT - 168.195 REGULATES - REG0-6978 SMILES - C(N)c1(c(CO)cnc(C)c1O) SYNONYMS - PM //