Difference between revisions of "CPD66-27"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-27 CPD66-27] == * smiles: ** CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4)) *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4)) | ** CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4)) | ||
| + | * molecular weight: | ||
| + | ** 330.466 | ||
* inchi key: | * inchi key: | ||
** InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N | ** InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** pregn-5-ene-3,20-dione-17-ol | ** pregn-5-ene-3,20-dione-17-ol | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
| Line 19: | Line 19: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14562950 14562950] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14562950 14562950] | ||
{{#set: smiles=CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))}} | {{#set: smiles=CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))}} | ||
| + | {{#set: molecular weight=330.466 }} | ||
{{#set: inchi key=InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N}} | ||
{{#set: common name=pregn-5-ene-3,20-dione-17-ol}} | {{#set: common name=pregn-5-ene-3,20-dione-17-ol}} | ||
| − | |||
{{#set: reversible reaction associated=RXN66-350}} | {{#set: reversible reaction associated=RXN66-350}} | ||
Latest revision as of 16:05, 9 January 2019
Contents
Metabolite CPD66-27
- smiles:
- CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))
- molecular weight:
- 330.466
- inchi key:
- InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N
- common name:
- pregn-5-ene-3,20-dione-17-ol
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
