Difference between revisions of "2-METHYL-ACETO-ACETYL-COA"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-ACETO-ACETYL-COA 2-METHYL-ACETO-ACETYL-COA] == * smiles: ** CC(C(SCCNC(=O)CCNC(=O)C(O)...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C(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-])=O)C(=O)C | ** CC(C(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-])=O)C(=O)C | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 861.604 | ** 861.604 | ||
| + | * inchi key: | ||
| + | ** InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J | ||
| + | * common name: | ||
| + | ** 2-methylacetoacetyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 2-methyl-3-acetoacetyl-CoA | ** 2-methyl-3-acetoacetyl-CoA | ||
| Line 17: | Line 17: | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
* [[1.1.1.178-RXN]] | * [[1.1.1.178-RXN]] | ||
| + | * [[HMNOS]] | ||
* [[METHYLACETOACETYLCOATHIOL-RXN]] | * [[METHYLACETOACETYLCOATHIOL-RXN]] | ||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266568 45266568] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266568 45266568] | ||
| − | * | + | * REFMET : 2-Methylacetoacetyl-CoA |
| − | + | ||
| − | + | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57335 57335] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57335 57335] | ||
| + | * CAS : 6712-01-2 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C03344 C03344] | ||
| + | * HMDB : HMDB01157 | ||
* METABOLIGHTS : MTBLC57335 | * METABOLIGHTS : MTBLC57335 | ||
{{#set: smiles=CC(C(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-])=O)C(=O)C}} | {{#set: smiles=CC(C(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-])=O)C(=O)C}} | ||
| − | |||
| − | |||
{{#set: molecular weight=861.604 }} | {{#set: molecular weight=861.604 }} | ||
| + | {{#set: inchi key=InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J}} | ||
| + | {{#set: common name=2-methylacetoacetyl-CoA}} | ||
{{#set: common name=2-methyl-3-acetoacetyl-CoA|2-methylacetoacetyl coenzyme A}} | {{#set: common name=2-methyl-3-acetoacetyl-CoA|2-methylacetoacetyl coenzyme A}} | ||
{{#set: consumed by=ACCAT}} | {{#set: consumed by=ACCAT}} | ||
| − | {{#set: reversible reaction associated= | + | {{#set: reversible reaction associated=1.1.1.178-RXN|HMNOS|METHYLACETOACETYLCOATHIOL-RXN}} |
Latest revision as of 14:32, 10 January 2019
Contents
Metabolite 2-METHYL-ACETO-ACETYL-COA
- smiles:
- CC(C(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-])=O)C(=O)C
- molecular weight:
- 861.604
- inchi key:
- InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J
- common name:
- 2-methylacetoacetyl-CoA
- Synonym(s):
- 2-methyl-3-acetoacetyl-CoA
- 2-methylacetoacetyl coenzyme A
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- REFMET : 2-Methylacetoacetyl-CoA
- CHEBI:
- CAS : 6712-01-2
- LIGAND-CPD:
- HMDB : HMDB01157
- METABOLIGHTS : MTBLC57335
"CC(C(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-])=O)C(=O)C" cannot be used as a page name in this wiki.
