Difference between revisions of "CPD-513"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-513 CPD-513] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=CC=C1))COP(=O)(OP(...") |
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* 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-] | ||
| − | |||
| − | |||
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* molecular weight: | * molecular weight: | ||
** 911.663 | ** 911.663 | ||
| + | * inchi key: | ||
| + | ** InChIKey=AAZZVFONLHYNDZ-NVQRUNIKSA-J | ||
| + | * common name: | ||
| + | ** 3-hydroxy-3-phenylpropanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** hydroxycinnamoyl-CoA (ambiguous) | ** hydroxycinnamoyl-CoA (ambiguous) | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71294 71294] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71294 71294] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70680322 70680322] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C06362 C06362] | ** [http://www.genome.jp/dbget-bin/www_bget?C06362 C06362] | ||
{{#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=911.663 }} | {{#set: molecular weight=911.663 }} | ||
| + | {{#set: inchi key=InChIKey=AAZZVFONLHYNDZ-NVQRUNIKSA-J}} | ||
| + | {{#set: common name=3-hydroxy-3-phenylpropanoyl-CoA}} | ||
{{#set: common name=hydroxycinnamoyl-CoA (ambiguous)|β-hydroxyphenyl-propionyl-CoA|3-hydroxy-3-phenylpropionyl-coenzyme A|3-hydroxy-3-phenylpropionyl-CoA}} | {{#set: common name=hydroxycinnamoyl-CoA (ambiguous)|β-hydroxyphenyl-propionyl-CoA|3-hydroxy-3-phenylpropionyl-coenzyme A|3-hydroxy-3-phenylpropionyl-CoA}} | ||
{{#set: consumed by=RXN-11278}} | {{#set: consumed by=RXN-11278}} | ||
{{#set: produced by=RXN-2002}} | {{#set: produced by=RXN-2002}} | ||
Latest revision as of 16:55, 9 January 2019
Contents
Metabolite CPD-513
- 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:
- 911.663
- inchi key:
- InChIKey=AAZZVFONLHYNDZ-NVQRUNIKSA-J
- common name:
- 3-hydroxy-3-phenylpropanoyl-CoA
- Synonym(s):
- hydroxycinnamoyl-CoA (ambiguous)
- β-hydroxyphenyl-propionyl-CoA
- 3-hydroxy-3-phenylpropionyl-coenzyme A
- 3-hydroxy-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.
