Difference between revisions of "Ec-11 002020"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7107 CPD-7107] == * smiles: ** CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(C(C)C)=O)O))C * inch...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-202 CPD-202] == * smiles: ** CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP...") |
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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-202 CPD-202] == |
* smiles: | * smiles: | ||
| − | ** CC(= | + | ** CC(CCC(=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-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(O)CCC(C)4[CH](CC(O)C(C)56)7)))) |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=ZKWNOTQHFKYUNU-JGCIYWTLSA-J |
* common name: | * common name: | ||
| − | ** | + | ** choloyl-CoA |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 1154.064 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 3-α,7-α,12-α-trihydroxy-5-β-cholanoyl-CoA |
| + | ** 3α,7α,12α-trihydroxy-5β-cholan-24-oyl-CoA | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[ | + | * [[2.3.1.176-RXN]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657878 90657878] |
| − | {{#set: smiles=CC(= | + | * CHEBI: |
| − | {{#set: inchi key=InChIKey= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15519 15519] |
| − | {{#set: common name= | + | * LIGAND-CPD: |
| − | {{#set: molecular weight= | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01794 C01794] |
| − | {{#set: common name= | + | * HMDB : HMDB01374 |
| − | {{#set: produced by= | + | {{#set: smiles=CC(CCC(=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-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(O)CCC(C)4[CH](CC(O)C(C)56)7))))}} |
| + | {{#set: inchi key=InChIKey=ZKWNOTQHFKYUNU-JGCIYWTLSA-J}} | ||
| + | {{#set: common name=choloyl-CoA}} | ||
| + | {{#set: molecular weight=1154.064 }} | ||
| + | {{#set: common name=3-α,7-α,12-α-trihydroxy-5-β-cholanoyl-CoA|3α,7α,12α-trihydroxy-5β-cholan-24-oyl-CoA}} | ||
| + | {{#set: produced by=2.3.1.176-RXN}} | ||
Revision as of 13:52, 21 March 2018
Contents
Metabolite CPD-202
- smiles:
- CC(CCC(=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-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(O)CCC(C)4[CH](CC(O)C(C)56)7))))
- inchi key:
- InChIKey=ZKWNOTQHFKYUNU-JGCIYWTLSA-J
- common name:
- choloyl-CoA
- molecular weight:
- 1154.064
- Synonym(s):
- 3-α,7-α,12-α-trihydroxy-5-β-cholanoyl-CoA
- 3α,7α,12α-trihydroxy-5β-cholan-24-oyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(CCC(=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-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(O)CCC(C)4[CH](CC(O)C(C)56)7))))" cannot be used as a page name in this wiki.
