Difference between revisions of "CPD-7257"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7257 CPD-7257] == * smiles: ** CC(CCC(=O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(O...") |
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* smiles: | * smiles: | ||
** CC(CCC(=O)C(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(CCC(=O)C(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: | ||
** 1210.128 | ** 1210.128 | ||
| + | * inchi key: | ||
| + | ** InChIKey=AWLXQJGPNLCTLM-YFXOTMPNSA-J | ||
| + | * common name: | ||
| + | ** 3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA | ** 3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58507 58507] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266665 45266665] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266665 45266665] | ||
* HMDB : HMDB06891 | * HMDB : HMDB06891 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05467 C05467] | ** [http://www.genome.jp/dbget-bin/www_bget?C05467 C05467] | ||
{{#set: smiles=CC(CCC(=O)C(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(CCC(=O)C(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=1210.128 }} | {{#set: molecular weight=1210.128 }} | ||
| + | {{#set: inchi key=InChIKey=AWLXQJGPNLCTLM-YFXOTMPNSA-J}} | ||
| + | {{#set: common name=3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA}} | ||
{{#set: common name=3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA|3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestanoyl-CoA|3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA|3α,7α,12α-trihydroxy-5β-cholest-24-one-CoA|24-keto,(25R)-trihydroxycholestanoyl-CoA}} | {{#set: common name=3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA|3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestanoyl-CoA|3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA|3α,7α,12α-trihydroxy-5β-cholest-24-one-CoA|24-keto,(25R)-trihydroxycholestanoyl-CoA}} | ||
{{#set: consumed by=2.3.1.176-RXN}} | {{#set: consumed by=2.3.1.176-RXN}} | ||
Latest revision as of 16:02, 10 January 2019
Contents
Metabolite CPD-7257
- smiles:
- CC(CCC(=O)C(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:
- 1210.128
- inchi key:
- InChIKey=AWLXQJGPNLCTLM-YFXOTMPNSA-J
- common name:
- 3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
- Synonym(s):
- 3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
- 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestanoyl-CoA
- 3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA
- 3α,7α,12α-trihydroxy-5β-cholest-24-one-CoA
- 24-keto,(25R)-trihydroxycholestanoyl-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)C(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.
