Difference between revisions of "CPD-7243"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7243 CPD-7243] == * smiles: ** CC(CCC=C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1...") |
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* smiles: | * smiles: | ||
** CC(CCC=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=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)))) | ||
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* molecular weight: | * molecular weight: | ||
** 1194.129 | ** 1194.129 | ||
| + | * inchi key: | ||
| + | ** InChIKey=QVDPWQVOSKJUES-JMOYVIBVSA-J | ||
| + | * common name: | ||
| + | ** (24E)-3α,7α,12α-trihydroxy-5β-cholest-24-enoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
* [[4.2.1.107-RXN]] | * [[4.2.1.107-RXN]] | ||
== External links == | == External links == | ||
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* METABOLIGHTS : MTBLC52432 | * METABOLIGHTS : MTBLC52432 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878544 46878544] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878544 46878544] | ||
| + | * HMDB : HMDB06889 | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=59879 59879] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05460 C05460] | ||
{{#set: smiles=CC(CCC=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=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))))}} | ||
| − | |||
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{{#set: molecular weight=1194.129 }} | {{#set: molecular weight=1194.129 }} | ||
| + | {{#set: inchi key=InChIKey=QVDPWQVOSKJUES-JMOYVIBVSA-J}} | ||
| + | {{#set: common name=(24E)-3α,7α,12α-trihydroxy-5β-cholest-24-enoyl-CoA}} | ||
{{#set: reversible reaction associated=4.2.1.107-RXN}} | {{#set: reversible reaction associated=4.2.1.107-RXN}} | ||
Latest revision as of 14:53, 10 January 2019
Contents
Metabolite CPD-7243
- smiles:
- CC(CCC=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:
- 1194.129
- inchi key:
- InChIKey=QVDPWQVOSKJUES-JMOYVIBVSA-J
- common name:
- (24E)-3α,7α,12α-trihydroxy-5β-cholest-24-enoyl-CoA
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(CCC=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.
