Difference between revisions of "ACETOACETYL-COA"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] == * smiles: ** CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-] | ** CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-] | ||
| + | * molecular weight: | ||
| + | ** 847.577 | ||
* inchi key: | * inchi key: | ||
** InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J | ** InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J | ||
* common name: | * common name: | ||
** acetoacetyl-CoA | ** acetoacetyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 3-acetoacetyl-CoA | ** 3-acetoacetyl-CoA | ||
| Line 17: | Line 17: | ||
* [[ACETOACETATE--COA-LIGASE-RXN]] | * [[ACETOACETATE--COA-LIGASE-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]] | * [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]] | ||
| + | * [[RXN-11662]] | ||
* [[ACETYL-COA-ACETYLTRANSFER-RXN]] | * [[ACETYL-COA-ACETYLTRANSFER-RXN]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* KNAPSACK : C00007269 | * KNAPSACK : C00007269 | ||
| − | * | + | * BIGG : aacoa |
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C00332 C00332] | ** [http://www.genome.jp/dbget-bin/www_bget?C00332 C00332] | ||
| + | * LIPID_MAPS : LMFA07050030 | ||
| + | * HMDB : HMDB01484 | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57286 57286] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57286 57286] | ||
| − | * | + | * DRUGBANK : DB03059 |
| + | * CAS : 1420-36-6 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266540 45266540] | ||
| + | * METABOLIGHTS : MTBLC57286 | ||
{{#set: smiles=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}} | {{#set: smiles=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}} | ||
| + | {{#set: molecular weight=847.577 }} | ||
{{#set: inchi key=InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J}} | {{#set: inchi key=InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J}} | ||
{{#set: common name=acetoacetyl-CoA}} | {{#set: common name=acetoacetyl-CoA}} | ||
| − | |||
{{#set: common name=3-acetoacetyl-CoA|acetoacetyl-S-CoA}} | {{#set: common name=3-acetoacetyl-CoA|acetoacetyl-S-CoA}} | ||
{{#set: produced by=ACETOACETATE--COA-LIGASE-RXN}} | {{#set: produced by=ACETOACETATE--COA-LIGASE-RXN}} | ||
| − | {{#set: reversible reaction associated= | + | {{#set: reversible reaction associated=HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN|RXN-11662|ACETYL-COA-ACETYLTRANSFER-RXN}} |
Latest revision as of 17:57, 9 January 2019
Contents
Metabolite ACETOACETYL-COA
- smiles:
- CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
- molecular weight:
- 847.577
- inchi key:
- InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
- common name:
- acetoacetyl-CoA
- Synonym(s):
- 3-acetoacetyl-CoA
- acetoacetyl-S-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- KNAPSACK : C00007269
- BIGG : aacoa
- LIGAND-CPD:
- LIPID_MAPS : LMFA07050030
- HMDB : HMDB01484
- CHEBI:
- DRUGBANK : DB03059
- CAS : 1420-36-6
- PUBCHEM:
- METABOLIGHTS : MTBLC57286
"CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.
