Difference between revisions of "CPD0-2105"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2105 CPD0-2105] == * smiles: ** CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCCCCC(=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-] | ** CCCCCCCCCC(=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: | * molecular weight: | ||
** 959.791 | ** 959.791 | ||
| + | * inchi key: | ||
| + | ** InChIKey=HQANBZHVWIDNQZ-GMHMEAMDSA-J | ||
| + | * common name: | ||
| + | ** 3-oxododecanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| + | ** 3-ketododecanoyl-CoA | ||
** 3-oxolauroyl-CoA | ** 3-oxolauroyl-CoA | ||
| Line 15: | Line 16: | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | * [[ | + | * [[HACD5h]] |
* [[RXN-14274]] | * [[RXN-14274]] | ||
* [[HACD5]] | * [[HACD5]] | ||
| − | * [[ | + | * [[HACD5m]] |
== External links == | == External links == | ||
| − | * | + | * PUBCHEM: |
| − | ** [http:// | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11966169 11966169] |
| − | * | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173506 46173506] |
| + | * REFMET : 3-oxolauroyl-CoA | ||
* CHEBI: | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27868 27868] | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62615 62615] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62615 62615] | ||
| + | * HMDB : HMDB03937 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05263 C05263] | ||
* BIGG : 3oddcoa | * BIGG : 3oddcoa | ||
| − | |||
| − | |||
{{#set: smiles=CCCCCCCCCC(=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=CCCCCCCCCC(=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=959.791 }} | {{#set: molecular weight=959.791 }} | ||
| − | {{#set: common name=3-oxolauroyl-CoA}} | + | {{#set: inchi key=InChIKey=HQANBZHVWIDNQZ-GMHMEAMDSA-J}} |
| − | {{#set: reversible reaction associated= | + | {{#set: common name=3-oxododecanoyl-CoA}} |
| + | {{#set: common name=3-ketododecanoyl-CoA|3-oxolauroyl-CoA}} | ||
| + | {{#set: reversible reaction associated=HACD5h|RXN-14274|HACD5|HACD5m}} | ||
Latest revision as of 11:08, 10 January 2019
Contents
Metabolite CPD0-2105
- smiles:
- CCCCCCCCCC(=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:
- 959.791
- inchi key:
- InChIKey=HQANBZHVWIDNQZ-GMHMEAMDSA-J
- common name:
- 3-oxododecanoyl-CoA
- Synonym(s):
- 3-ketododecanoyl-CoA
- 3-oxolauroyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- REFMET : 3-oxolauroyl-CoA
- CHEBI:
- HMDB : HMDB03937
- LIGAND-CPD:
- BIGG : 3oddcoa
"CCCCCCCCCC(=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.
