Difference between revisions of "CPD-10590"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10590 CPD-10590] == * smiles: ** CC(CCC(O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=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)4CC[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)4CC[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7)))) | ||
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* molecular weight: | * molecular weight: | ||
** 1196.145 | ** 1196.145 | ||
| + | * inchi key: | ||
| + | ** InChIKey=SZBMUAIJWNJARR-UIZKVWQNSA-J | ||
| + | * common name: | ||
| + | ** (24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA | ||
* Synonym(s): | * Synonym(s): | ||
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== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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* METABOLIGHTS : MTBLC27403 | * METABOLIGHTS : MTBLC27403 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91828291 91828291] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91828291 91828291] | ||
| + | * HMDB : HMDB12456 | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87702 87702] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?c05448 c05448] | ||
{{#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)4CC[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)4CC[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=SZBMUAIJWNJARR-UIZKVWQNSA-J}} | ||
| + | {{#set: common name=(24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA}} | ||
{{#set: produced by=RXN-9847}} | {{#set: produced by=RXN-9847}} | ||
Latest revision as of 13:22, 10 January 2019
Contents
Metabolite CPD-10590
- 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)4CC[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))
- molecular weight:
- 1196.145
- inchi key:
- InChIKey=SZBMUAIJWNJARR-UIZKVWQNSA-J
- common name:
- (24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl 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(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)4CC[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))" cannot be used as a page name in this wiki.
