Difference between revisions of "BENZOYLSUCCINYL-COA"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOYLSUCCINYL-COA BENZOYLSUCCINYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O...") |
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* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 966.676 | ** 966.676 | ||
| + | * inchi key: | ||
| + | ** InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I | ||
| + | * common name: | ||
| + | ** benzoylsuccinyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28882 28882] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28882 28882] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659089 90659089] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C09820 C09820] | ** [http://www.genome.jp/dbget-bin/www_bget?C09820 C09820] | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=966.676 }} | {{#set: molecular weight=966.676 }} | ||
| + | {{#set: inchi key=InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I}} | ||
| + | {{#set: common name=benzoylsuccinyl-CoA}} | ||
{{#set: produced by=RXN-905}} | {{#set: produced by=RXN-905}} | ||
Latest revision as of 13:11, 10 January 2019
Contents
Metabolite BENZOYLSUCCINYL-COA
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
- molecular weight:
- 966.676
- inchi key:
- InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I
- common name:
- benzoylsuccinyl-CoA
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.
