Difference between revisions of "CPD-12173"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C(=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-])CO | ** CC(C(=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-])CO | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 849.593 | ** 849.593 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J | ||
| + | * common name: | ||
| + | ** (S)-3-hydroxy-isobutanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** (S)-3-hydroxy-2-methylpropanoyl-CoA | ** (S)-3-hydroxy-2-methylpropanoyl-CoA | ||
| Line 22: | Line 22: | ||
* [[METHYLACYLYLCOA-HYDROXY-RXN]] | * [[METHYLACYLYLCOA-HYDROXY-RXN]] | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC28259 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173510 46173510] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173510 46173510] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62611 62611] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62611 62611] | ||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C06000 C06000] | ** [http://www.genome.jp/dbget-bin/www_bget?C06000 C06000] | ||
| + | * REFMET : 3-hydroxyisobutyryl-CoA | ||
{{#set: smiles=CC(C(=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-])CO}} | {{#set: smiles=CC(C(=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-])CO}} | ||
| − | |||
| − | |||
{{#set: molecular weight=849.593 }} | {{#set: molecular weight=849.593 }} | ||
| + | {{#set: inchi key=InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J}} | ||
| + | {{#set: common name=(S)-3-hydroxy-isobutanoyl-CoA}} | ||
{{#set: common name=(S)-3-hydroxy-2-methylpropanoyl-CoA|(S)-3-hydroxy-isobutyryl-coenzyme A|(S)-3-Hydroxy-2-methylpropionyl-CoA|(S)-β-hydroxy-isobutyryl-CoA|(S)-3-hydroxy-isobutyryl-CoA}} | {{#set: common name=(S)-3-hydroxy-2-methylpropanoyl-CoA|(S)-3-hydroxy-isobutyryl-coenzyme A|(S)-3-Hydroxy-2-methylpropionyl-CoA|(S)-β-hydroxy-isobutyryl-CoA|(S)-3-hydroxy-isobutyryl-CoA}} | ||
{{#set: consumed by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}} | {{#set: consumed by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}} | ||
{{#set: reversible reaction associated=METHYLACYLYLCOA-HYDROXY-RXN}} | {{#set: reversible reaction associated=METHYLACYLYLCOA-HYDROXY-RXN}} | ||
Latest revision as of 13:31, 10 January 2019
Contents
Metabolite CPD-12173
- smiles:
- CC(C(=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-])CO
- molecular weight:
- 849.593
- inchi key:
- InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
- common name:
- (S)-3-hydroxy-isobutanoyl-CoA
- Synonym(s):
- (S)-3-hydroxy-2-methylpropanoyl-CoA
- (S)-3-hydroxy-isobutyryl-coenzyme A
- (S)-3-Hydroxy-2-methylpropionyl-CoA
- (S)-β-hydroxy-isobutyryl-CoA
- (S)-3-hydroxy-isobutyryl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC28259
- PUBCHEM:
- CHEBI:
- LIGAND-CPD:
- REFMET : 3-hydroxyisobutyryl-CoA
"CC(C(=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-])CO" cannot be used as a page name in this wiki.
