Difference between revisions of "CPD-15189"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15189 CPD-15189] == * smiles: ** CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1...") |
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* smiles: | * smiles: | ||
** CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4)))) | ** CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4)))) | ||
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* molecular weight: | * molecular weight: | ||
** 391.57 | ** 391.57 | ||
| + | * inchi key: | ||
| + | ** InChIKey=RUDATBOHQWOJDD-BSWAIDMHSA-M | ||
| + | * common name: | ||
| + | ** chenodeoxycholate | ||
* Synonym(s): | * Synonym(s): | ||
** 3α, 7α-dihydroxy-5β-cholanic acid | ** 3α, 7α-dihydroxy-5β-cholanic acid | ||
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== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7827514.html 7827514] | ** [http://www.chemspider.com/Chemical-Structure.7827514.html 7827514] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9548590 9548590] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=36234 36234] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=36234 36234] | ||
| + | * GO-TERMS : (REFMET "Chenodeoxycholic Acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 474-25-9 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C02528 C02528] | ||
| + | * HMDB : HMDB00518 | ||
* METABOLIGHTS : MTBLC36234 | * METABOLIGHTS : MTBLC36234 | ||
{{#set: smiles=CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))}} | {{#set: smiles=CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=391.57 }} | {{#set: molecular weight=391.57 }} | ||
| + | {{#set: inchi key=InChIKey=RUDATBOHQWOJDD-BSWAIDMHSA-M}} | ||
| + | {{#set: common name=chenodeoxycholate}} | ||
{{#set: common name=3α, 7α-dihydroxy-5β-cholanic acid|chenodexycholic acid|chenodiol|chenic acid}} | {{#set: common name=3α, 7α-dihydroxy-5β-cholanic acid|chenodexycholic acid|chenodiol|chenic acid}} | ||
{{#set: consumed by=RXN-16033}} | {{#set: consumed by=RXN-16033}} | ||
Latest revision as of 14:48, 10 January 2019
Contents
Metabolite CPD-15189
- smiles:
- CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))
- molecular weight:
- 391.57
- inchi key:
- InChIKey=RUDATBOHQWOJDD-BSWAIDMHSA-M
- common name:
- chenodeoxycholate
- Synonym(s):
- 3α, 7α-dihydroxy-5β-cholanic acid
- chenodexycholic acid
- chenodiol
- chenic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- PUBCHEM:
- CHEBI:
- GO-TERMS : (REFMET "Chenodeoxycholic Acid" NIL midford 3701443689 NIL NIL)
- CAS : 474-25-9
- LIGAND-CPD:
- HMDB : HMDB00518
- METABOLIGHTS : MTBLC36234
"CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))" cannot be used as a page name in this wiki.
