Difference between revisions of "CPD-202"
From metabolic_network
(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 3: | Line 3: | ||
* smiles: | * 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)))) | ** 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)))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 1154.064 | ** 1154.064 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ZKWNOTQHFKYUNU-JGCIYWTLSA-J | ||
| + | * common name: | ||
| + | ** choloyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 3-α,7-α,12-α-trihydroxy-5-β-cholanoyl-CoA | ** 3-α,7-α,12-α-trihydroxy-5-β-cholanoyl-CoA | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57373 57373] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266600 45266600] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266600 45266600] | ||
* HMDB : HMDB01374 | * HMDB : HMDB01374 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C01794 C01794] | ** [http://www.genome.jp/dbget-bin/www_bget?C01794 C01794] | ||
{{#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: 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: molecular weight=1154.064 }} | {{#set: molecular weight=1154.064 }} | ||
| + | {{#set: inchi key=InChIKey=ZKWNOTQHFKYUNU-JGCIYWTLSA-J}} | ||
| + | {{#set: common name=choloyl-CoA}} | ||
{{#set: common name=3-α,7-α,12-α-trihydroxy-5-β-cholanoyl-CoA|3α,7α,12α-trihydroxy-5β-cholan-24-oyl-CoA}} | {{#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}} | {{#set: produced by=2.3.1.176-RXN}} | ||
Latest revision as of 14:44, 10 January 2019
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))))
- molecular weight:
- 1154.064
- inchi key:
- InChIKey=ZKWNOTQHFKYUNU-JGCIYWTLSA-J
- common name:
- choloyl-CoA
- 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.
