Difference between revisions of "CPD-4577"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4577 CPD-4577] == * smiles: ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)(C)C(O)CCC...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)(C)C(O)CCC(C)1C=2CCC(C)34)))) | ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)(C)C(O)CCC(C)1C=2CCC(C)34)))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 441.673 | ** 441.673 | ||
| + | * inchi key: | ||
| + | ** InChIKey=MYWAIWDQTCHPTH-LJAIZBFVSA-M | ||
| + | * common name: | ||
| + | ** 4α-carboxy-4β-methyl-5α-cholesta-8,24-dien-3β-ol | ||
* Synonym(s): | * Synonym(s): | ||
** 4β-methyl-4α-carboxy-cholesta-8,24-dien-3β-ol | ** 4β-methyl-4α-carboxy-cholesta-8,24-dien-3β-ol | ||
| Line 16: | Line 16: | ||
* [[RXN66-313]] | * [[RXN66-313]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4577/NADP/WATER.81.]] | * [[RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4577/NADP/WATER.81.]] | ||
| + | * [[RXN-13712]] | ||
* [[RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4577/NAD/WATER.79.]] | * [[RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4577/NAD/WATER.79.]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=64925 64925] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=57339293 57339293] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=57339293 57339293] | ||
* HMDB : HMDB06927 | * HMDB : HMDB06927 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C15808 C15808] | ** [http://www.genome.jp/dbget-bin/www_bget?C15808 C15808] | ||
{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)(C)C(O)CCC(C)1C=2CCC(C)34))))}} | {{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)(C)C(O)CCC(C)1C=2CCC(C)34))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=441.673 }} | {{#set: molecular weight=441.673 }} | ||
| + | {{#set: inchi key=InChIKey=MYWAIWDQTCHPTH-LJAIZBFVSA-M}} | ||
| + | {{#set: common name=4α-carboxy-4β-methyl-5α-cholesta-8,24-dien-3β-ol}} | ||
{{#set: common name=4β-methyl-4α-carboxy-cholesta-8,24-dien-3β-ol|4β-methylzymosterol-4α-carboxylate}} | {{#set: common name=4β-methyl-4α-carboxy-cholesta-8,24-dien-3β-ol|4β-methylzymosterol-4α-carboxylate}} | ||
{{#set: consumed by=RXN66-313}} | {{#set: consumed by=RXN66-313}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4577/NADP/WATER.81.|RXN-13712|RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4577/NAD/WATER.79.}} |
Latest revision as of 12:03, 10 January 2019
Contents
Metabolite CPD-4577
- smiles:
- CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)(C)C(O)CCC(C)1C=2CCC(C)34))))
- molecular weight:
- 441.673
- inchi key:
- InChIKey=MYWAIWDQTCHPTH-LJAIZBFVSA-M
- common name:
- 4α-carboxy-4β-methyl-5α-cholesta-8,24-dien-3β-ol
- Synonym(s):
- 4β-methyl-4α-carboxy-cholesta-8,24-dien-3β-ol
- 4β-methylzymosterol-4α-carboxylate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
- RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4577/NADP/WATER.81.
- RXN-13712
- RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4577/NAD/WATER.79.
Reaction(s) of unknown directionality
External links
"CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)(C)C(O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.
