Difference between revisions of "CPD-650"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] == * smiles: ** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O) * inchi ke...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-650 CPD-650] == * smiles: ** CC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-650 CPD-650] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CC(CC(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)O |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** ( | + | ** (3R)-3-hydroxybutanoyl-CoA |
| + | * inchi key: | ||
| + | ** InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 849.593 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 3-OH-butyryl-CoA |
| − | ** | + | ** OH-butyryl-CoA |
| + | ** β-hydroxybutyryl-S-CoA | ||
| + | ** D-3-hydroxybutyryl-CoA | ||
| + | ** hydroxy-butyryl-CoA | ||
| + | ** β-hydroxybutyryl-CoA | ||
| + | ** 3-hydroxybutyryl-CoA | ||
| + | ** (3R)-3-Hydroxybutanoyl-CoA | ||
| + | ** 3-hydroxybutanoyl-CoA | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[RXN- | + | * [[RXN-5901]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266552 45266552] |
| − | * | + | * UM-BBD-CPD : c0030 |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57315 57315] |
| − | * | + | * HMDB : HMDB01166 |
| − | {{#set: smiles= | + | * LIGAND-CPD: |
| − | {{#set: | + | ** [http://www.genome.jp/dbget-bin/www_bget?C03561 C03561] |
| − | {{#set: | + | {{#set: smiles=CC(CC(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)O}} |
| − | {{#set: molecular weight= | + | {{#set: common name=(3R)-3-hydroxybutanoyl-CoA}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J}} |
| − | {{#set: produced by=RXN- | + | {{#set: molecular weight=849.593 }} |
| + | {{#set: common name=3-OH-butyryl-CoA|OH-butyryl-CoA|β-hydroxybutyryl-S-CoA|D-3-hydroxybutyryl-CoA|hydroxy-butyryl-CoA|β-hydroxybutyryl-CoA|3-hydroxybutyryl-CoA|(3R)-3-Hydroxybutanoyl-CoA|3-hydroxybutanoyl-CoA}} | ||
| + | {{#set: produced by=RXN-5901}} | ||
Latest revision as of 20:10, 21 March 2018
Contents
Metabolite CPD-650
- smiles:
- CC(CC(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)O
- common name:
- (3R)-3-hydroxybutanoyl-CoA
- inchi key:
- InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J
- molecular weight:
- 849.593
- Synonym(s):
- 3-OH-butyryl-CoA
- OH-butyryl-CoA
- β-hydroxybutyryl-S-CoA
- D-3-hydroxybutyryl-CoA
- hydroxy-butyryl-CoA
- β-hydroxybutyryl-CoA
- 3-hydroxybutyryl-CoA
- (3R)-3-Hydroxybutanoyl-CoA
- 3-hydroxybutanoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(CC(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)O" cannot be used as a page name in this wiki.
