Difference between revisions of "CPD-196"
From metabolic_network
(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 3: | Line 3: | ||
* 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-] | ** 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-] | ||
| + | * molecular weight: | ||
| + | ** 889.7 | ||
* inchi key: | * inchi key: | ||
** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J | ** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J | ||
* common name: | * common name: | ||
** octanoyl-CoA | ** octanoyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** Octanoyl-CoA (n-C8:0CoA) | ** Octanoyl-CoA (n-C8:0CoA) | ||
| Line 16: | Line 16: | ||
* [[RXN-12669]] | * [[RXN-12669]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[R223-RXN]] | * [[R223-RXN]] | ||
| + | * [[RXN-13617]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC57386 | ||
* BIGG : occoa | * BIGG : occoa | ||
| − | |||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944] | ** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944] | ||
| + | * HMDB : HMDB01070 | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386] | ||
| − | * | + | * PUBCHEM: |
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711] | ||
{{#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: 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: molecular weight=889.7 }} | ||
{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}} | {{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}} | ||
{{#set: common name=octanoyl-CoA}} | {{#set: common name=octanoyl-CoA}} | ||
| − | |||
{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}} | {{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}} | ||
{{#set: consumed by=RXN-12669}} | {{#set: consumed by=RXN-12669}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=R223-RXN|RXN-13617}} |
Latest revision as of 19:18, 9 January 2019
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-]
- molecular weight:
- 889.7
- inchi key:
- InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
- common name:
- octanoyl-CoA
- 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
- METABOLIGHTS : MTBLC57386
- BIGG : occoa
- LIGAND-CPD:
- HMDB : HMDB01070
- CHEBI:
- PUBCHEM:
"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.
