Difference between revisions of "PREGNENOLONE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PREGNENOLONE PREGNENOLONE] == * smiles: ** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34)))) | ** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34)))) | ||
| + | * molecular weight: | ||
| + | ** 316.483 | ||
* inchi key: | * inchi key: | ||
** InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N | ** InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N | ||
* common name: | * common name: | ||
** pregnenolone | ** pregnenolone | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone | ** 1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone | ||
| Line 20: | Line 20: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC16581 |
* CAS : 145-13-1 | * CAS : 145-13-1 | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C01953 C01953] | ** [http://www.genome.jp/dbget-bin/www_bget?C01953 C01953] | ||
| + | * HMDB : HMDB00253 | ||
| + | * LIPID_MAPS : LMST02030088 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.8611.html 8611] | ** [http://www.chemspider.com/Chemical-Structure.8611.html 8611] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16581 16581] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16581 16581] | ||
| − | * | + | * DRUGBANK : DB02789 |
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8955 8955] | ||
| + | * Wikipedia : Pregnenolone | ||
{{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}} | {{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}} | ||
| + | {{#set: molecular weight=316.483 }} | ||
{{#set: inchi key=InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N}} | {{#set: inchi key=InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N}} | ||
{{#set: common name=pregnenolone}} | {{#set: common name=pregnenolone}} | ||
| − | |||
{{#set: common name=1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone|5-pregnen-3-β-ol-20-one|3-β-hydroxypregn-5-en-20-one|3beta-hydroxypregn-5-en-20-one}} | {{#set: common name=1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone|5-pregnen-3-β-ol-20-one|3-β-hydroxypregn-5-en-20-one|3beta-hydroxypregn-5-en-20-one}} | ||
{{#set: consumed by=RXN66-353}} | {{#set: consumed by=RXN66-353}} | ||
Latest revision as of 15:35, 9 January 2019
Contents
Metabolite PREGNENOLONE
- smiles:
- CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
- molecular weight:
- 316.483
- inchi key:
- InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N
- common name:
- pregnenolone
- Synonym(s):
- 1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone
- 5-pregnen-3-β-ol-20-one
- 3-β-hydroxypregn-5-en-20-one
- 3beta-hydroxypregn-5-en-20-one
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC16581
- CAS : 145-13-1
- LIGAND-CPD:
- HMDB : HMDB00253
- LIPID_MAPS : LMST02030088
- CHEMSPIDER:
- CHEBI:
- DRUGBANK : DB02789
- PUBCHEM:
- Wikipedia : Pregnenolone
"CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.
"1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone" cannot be used as a page name in this wiki.
