Difference between revisions of "CPD-196"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-710 CPD-710] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CC...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] == * smiles: ** CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CCCCCCCC(=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-] |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J |
* common name: | * common name: | ||
| − | ** | + | ** octanoyl-CoA |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 889.7 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** Octanoyl-CoA (n-C8:0CoA) |
| + | ** capryloyl-CoA | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[RXN-12669]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[RXN-13617]] | ||
| + | * [[R223-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * BIGG : 38747 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711] |
| + | * HMDB : HMDB01070 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944] |
| − | {{#set: smiles= | + | * CHEBI: |
| − | {{#set: inchi key=InChIKey= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386] |
| − | {{#set: common name= | + | * METABOLIGHTS : MTBLC57386 |
| − | {{#set: molecular weight= | + | {{#set: smiles=CCCCCCCC(=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: common name= | + | {{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}} |
| − | {{#set: consumed by=RXN- | + | {{#set: common name=octanoyl-CoA}} |
| + | {{#set: molecular weight=889.7 }} | ||
| + | {{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}} | ||
| + | {{#set: consumed by=RXN-12669}} | ||
| + | {{#set: produced by=RXN-13617|R223-RXN}} | ||
Latest revision as of 20:59, 21 March 2018
Contents
Metabolite CPD-196
- smiles:
- CCCCCCCC(=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-]
- inchi key:
- InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
- common name:
- octanoyl-CoA
- molecular weight:
- 889.7
- Synonym(s):
- Octanoyl-CoA (n-C8:0CoA)
- capryloyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- BIGG : 38747
- PUBCHEM:
- HMDB : HMDB01070
- LIGAND-CPD:
- CHEBI:
- METABOLIGHTS : MTBLC57386
"CCCCCCCC(=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.
