Difference between revisions of "CPD-650"
From metabolic_network
(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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* 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 | ** 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 | ||
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* molecular weight: | * molecular weight: | ||
** 849.593 | ** 849.593 | ||
| + | * inchi key: | ||
| + | ** InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J | ||
| + | * common name: | ||
| + | ** (3R)-3-hydroxybutanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 3-OH-butyryl-CoA | ** 3-OH-butyryl-CoA | ||
| Line 24: | Line 24: | ||
* [[RXN-5901]] | * [[RXN-5901]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
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== External links == | == External links == | ||
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* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57315 57315] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57315 57315] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266552 45266552] | ||
* HMDB : HMDB01166 | * HMDB : HMDB01166 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C03561 C03561] | ** [http://www.genome.jp/dbget-bin/www_bget?C03561 C03561] | ||
| + | * UM-BBD-CPD : c0030 | ||
{{#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: 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}} | ||
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{{#set: molecular weight=849.593 }} | {{#set: molecular weight=849.593 }} | ||
| + | {{#set: inchi key=InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J}} | ||
| + | {{#set: common name=(3R)-3-hydroxybutanoyl-CoA}} | ||
{{#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: 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}} | {{#set: produced by=RXN-5901}} | ||
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Latest revision as of 14:25, 10 January 2019
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
- molecular weight:
- 849.593
- inchi key:
- InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J
- common name:
- (3R)-3-hydroxybutanoyl-CoA
- 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.
