Difference between revisions of "CPD-5846"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5846 CPD-5846] == * smiles: ** CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4)) | ** CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4)) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 443.688 | ** 443.688 | ||
| + | * inchi key: | ||
| + | ** InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M | ||
| + | * common name: | ||
| + | ** 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate | ||
* Synonym(s): | * Synonym(s): | ||
** 17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid | ** 17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid | ||
| Line 17: | Line 17: | ||
* [[1.1.1.170-RXN]] | * [[1.1.1.170-RXN]] | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58387 58387] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145105 21145105] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145105 21145105] | ||
| − | |||
| − | |||
* HMDB : HMDB11662 | * HMDB : HMDB11662 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C04840 C04840] | ** [http://www.genome.jp/dbget-bin/www_bget?C04840 C04840] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.20015982.html 20015982] | ||
{{#set: smiles=CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))}} | {{#set: smiles=CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=443.688 }} | {{#set: molecular weight=443.688 }} | ||
| + | {{#set: inchi key=InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M}} | ||
| + | {{#set: common name=3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate}} | ||
{{#set: common name=17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid}} | {{#set: common name=17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid}} | ||
{{#set: reversible reaction associated=1.1.1.170-RXN}} | {{#set: reversible reaction associated=1.1.1.170-RXN}} | ||
Latest revision as of 13:32, 10 January 2019
Contents
Metabolite CPD-5846
- smiles:
- CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))
- molecular weight:
- 443.688
- inchi key:
- InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M
- common name:
- 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
- Synonym(s):
- 17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))" cannot be used as a page name in this wiki.
"17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid" cannot be used as a page name in this wiki.
