Difference between revisions of "CPD-3945"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3945 CPD-3945] == * smiles: ** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34)))) | ** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34)))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 414.67 | ** 414.67 | ||
| + | * inchi key: | ||
| + | ** InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N | ||
| + | * common name: | ||
| + | ** (22α)-hydroxy-campest-4-en-3-one | ||
* Synonym(s): | * Synonym(s): | ||
** (22S)-22-hydroxy-campest-4-en-3-one | ** (22S)-22-hydroxy-campest-4-en-3-one | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * CHEBI: |
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72330 72330] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=15341631 15341631] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=15341631 15341631] | ||
* HMDB : HMDB12113 | * HMDB : HMDB12113 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C15796 C15796] | ** [http://www.genome.jp/dbget-bin/www_bget?C15796 C15796] | ||
| + | * LIPID_MAPS : LMST01031116 | ||
{{#set: smiles=CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))}} | {{#set: smiles=CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=414.67 }} | {{#set: molecular weight=414.67 }} | ||
| + | {{#set: inchi key=InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N}} | ||
| + | {{#set: common name=(22α)-hydroxy-campest-4-en-3-one}} | ||
{{#set: common name=(22S)-22-hydroxy-campest-4-en-3-one|(22S,24R)-22-hydroxy-ergost-4-en-3-one}} | {{#set: common name=(22S)-22-hydroxy-campest-4-en-3-one|(22S,24R)-22-hydroxy-ergost-4-en-3-one}} | ||
{{#set: produced by=RXN-4231}} | {{#set: produced by=RXN-4231}} | ||
Latest revision as of 11:19, 10 January 2019
Contents
Metabolite CPD-3945
- smiles:
- CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))
- molecular weight:
- 414.67
- inchi key:
- InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N
- common name:
- (22α)-hydroxy-campest-4-en-3-one
- Synonym(s):
- (22S)-22-hydroxy-campest-4-en-3-one
- (22S,24R)-22-hydroxy-ergost-4-en-3-one
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.
