Difference between revisions of "CPD-71"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-71 CPD-71] == * smiles: ** CC(CCCC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(CCCC(C)C(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-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7)))) | ** CC(CCCC(C)C(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-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7)))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 1196.145 | ** 1196.145 | ||
| + | * inchi key: | ||
| + | ** InChIKey=MNYDLIUNNOCPHG-FJWDCHQMSA-J | ||
| + | * common name: | ||
| + | ** (25R)-3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA | ** 3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA | ||
| Line 20: | Line 20: | ||
* [[1.17.99.3-RXN]] | * [[1.17.99.3-RXN]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* METABOLIGHTS : MTBLC58677 | * METABOLIGHTS : MTBLC58677 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266721 45266721] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266721 45266721] | ||
| + | * HMDB : HMDB60305 | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58677 58677] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C15613 C15613] | ||
{{#set: smiles=CC(CCCC(C)C(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-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))}} | {{#set: smiles=CC(CCCC(C)C(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-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=1196.145 }} | {{#set: molecular weight=1196.145 }} | ||
| + | {{#set: inchi key=InChIKey=MNYDLIUNNOCPHG-FJWDCHQMSA-J}} | ||
| + | {{#set: common name=(25R)-3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA}} | ||
{{#set: common name=3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA|(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-CoA|(25R)-trihydroxy-5β-cholestanoyl-CoA|trihydroxycoprostanoyl-CoA}} | {{#set: common name=3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA|(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-CoA|(25R)-trihydroxy-5β-cholestanoyl-CoA|trihydroxycoprostanoyl-CoA}} | ||
{{#set: reversible reaction associated=1.17.99.3-RXN}} | {{#set: reversible reaction associated=1.17.99.3-RXN}} | ||
Latest revision as of 13:53, 10 January 2019
Contents
Metabolite CPD-71
- smiles:
- CC(CCCC(C)C(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-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))
- molecular weight:
- 1196.145
- inchi key:
- InChIKey=MNYDLIUNNOCPHG-FJWDCHQMSA-J
- common name:
- (25R)-3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA
- Synonym(s):
- 3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA
- (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-CoA
- (25R)-trihydroxy-5β-cholestanoyl-CoA
- trihydroxycoprostanoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(CCCC(C)C(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-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))" cannot be used as a page name in this wiki.
