Difference between revisions of "CPD-514"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-514 CPD-514] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))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)CC(=O)C1(=CC=CC=C1))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: | ||
| + | ** 909.648 | ||
* inchi key: | * inchi key: | ||
** InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J | ** InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J | ||
* common name: | * common name: | ||
** 3-oxo-3-phenylpropanoyl-CoA | ** 3-oxo-3-phenylpropanoyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** benzoyl-acetyl-CoA | ** benzoyl-acetyl-CoA | ||
| Line 22: | Line 22: | ||
== 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=27388 27388] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27388 27388] | ||
| Line 29: | Line 27: | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203310 25203310] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203310 25203310] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C07118 C07118] | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))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)CC(=O)C1(=CC=CC=C1))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=909.648 }} | ||
{{#set: inchi key=InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J}} | {{#set: inchi key=InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J}} | ||
{{#set: common name=3-oxo-3-phenylpropanoyl-CoA}} | {{#set: common name=3-oxo-3-phenylpropanoyl-CoA}} | ||
| − | |||
{{#set: common name=benzoyl-acetyl-CoA|oxocinnamoyl-CoA|3-keto-3-phenylpropionyl-CoA|β-oxophenyl-propionyl-CoA|3-oxo-3-phenylpropionyl-coenzyme A|3-oxo-3-phenylpropionyl-CoA}} | {{#set: common name=benzoyl-acetyl-CoA|oxocinnamoyl-CoA|3-keto-3-phenylpropionyl-CoA|β-oxophenyl-propionyl-CoA|3-oxo-3-phenylpropionyl-coenzyme A|3-oxo-3-phenylpropionyl-CoA}} | ||
{{#set: consumed by=RXN-2006}} | {{#set: consumed by=RXN-2006}} | ||
Latest revision as of 17:29, 9 January 2019
Contents
Metabolite CPD-514
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))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:
- 909.648
- inchi key:
- InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J
- common name:
- 3-oxo-3-phenylpropanoyl-CoA
- Synonym(s):
- benzoyl-acetyl-CoA
- oxocinnamoyl-CoA
- 3-keto-3-phenylpropionyl-CoA
- β-oxophenyl-propionyl-CoA
- 3-oxo-3-phenylpropionyl-coenzyme A
- 3-oxo-3-phenylpropionyl-CoA
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)CC(=O)C1(=CC=CC=C1))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.
