Difference between revisions of "CPD0-2106"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2106 CPD0-2106] == * smiles: ** CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2106 CPD0-2106] == * smiles: ** CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCC(=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-] | ** CCCCCC(=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-] | ||
| − | |||
| − | |||
* common name: | * common name: | ||
** 3-oxooctanoyl-CoA | ** 3-oxooctanoyl-CoA | ||
| + | * inchi key: | ||
| + | ** InChIKey=WPIVBCGRGVNDDT-CECATXLMSA-J | ||
* molecular weight: | * molecular weight: | ||
** 903.684 | ** 903.684 | ||
| Line 19: | Line 19: | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05267 C05267] | ** [http://www.genome.jp/dbget-bin/www_bget?C05267 C05267] | ||
| + | * HMDB : HMDB03941 | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62619 62619] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62619 62619] | ||
| Line 24: | Line 25: | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173417 46173417] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173417 46173417] | ||
| − | |||
{{#set: smiles=CCCCCC(=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=CCCCCC(=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: common name=3-oxooctanoyl-CoA}} | {{#set: common name=3-oxooctanoyl-CoA}} | ||
| + | {{#set: inchi key=InChIKey=WPIVBCGRGVNDDT-CECATXLMSA-J}} | ||
{{#set: molecular weight=903.684 }} | {{#set: molecular weight=903.684 }} | ||
{{#set: produced by=RXN-14275}} | {{#set: produced by=RXN-14275}} | ||
| − | {{#set: | + | {{#set: reversible reaction associated=RXN-14277}} |
Latest revision as of 21:01, 21 March 2018
Contents
Metabolite CPD0-2106
- smiles:
- CCCCCC(=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-]
- common name:
- 3-oxooctanoyl-CoA
- inchi key:
- InChIKey=WPIVBCGRGVNDDT-CECATXLMSA-J
- molecular weight:
- 903.684
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CCCCCC(=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.
