Difference between revisions of "CPD-9459"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9459 CPD-9459] == * smiles: ** CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C | ** CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 455.699 | ** 455.699 | ||
| + | * inchi key: | ||
| + | ** InChIKey=MIJYXULNPSFWEK-GTOFXWBISA-M | ||
| + | * common name: | ||
| + | ** oleanolate | ||
* Synonym(s): | * Synonym(s): | ||
** oleanolic acid | ** oleanolic acid | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC37659 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11865404 11865404] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11865404 11865404] | ||
| − | * | + | * HMDB : HMDB02364 |
| − | + | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=82828 82828] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=82828 82828] | ||
| − | * | + | * CHEMSPIDER: |
| − | * | + | ** [http://www.chemspider.com/Chemical-Structure.10039737.html 10039737] |
{{#set: smiles=CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C}} | {{#set: smiles=CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C}} | ||
| − | |||
| − | |||
{{#set: molecular weight=455.699 }} | {{#set: molecular weight=455.699 }} | ||
| + | {{#set: inchi key=InChIKey=MIJYXULNPSFWEK-GTOFXWBISA-M}} | ||
| + | {{#set: common name=oleanolate}} | ||
{{#set: common name=oleanolic acid|oleanic acid|caryophyllin|3-beta-Hydroxyolean-12-en-28-oic acid|oleonolic acid}} | {{#set: common name=oleanolic acid|oleanic acid|caryophyllin|3-beta-Hydroxyolean-12-en-28-oic acid|oleonolic acid}} | ||
{{#set: consumed by=RXN-9000}} | {{#set: consumed by=RXN-9000}} | ||
Latest revision as of 15:41, 10 January 2019
Contents
Metabolite CPD-9459
- smiles:
- CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C
- molecular weight:
- 455.699
- inchi key:
- InChIKey=MIJYXULNPSFWEK-GTOFXWBISA-M
- common name:
- oleanolate
- Synonym(s):
- oleanolic acid
- oleanic acid
- caryophyllin
- 3-beta-Hydroxyolean-12-en-28-oic acid
- oleonolic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C" cannot be used as a page name in this wiki.
