| Number |
qtl-m0249 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
315.2319 |
| Exact mass(Da) |
315.2246 |
| Accurate mass error(ppm) |
0.14 |
| Molecular formula |
C21H30O2 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
315.2 |
| Product ions(Q3) |
159.3 |
| Main fragments |
159.3, 297.2, 279.3, 223.2, 105.2, 91.1 |
| Compound |
Progesterone |
| Identification |
putative |
| class |
Terpene |
| Organism |
|
| Reference |
Lino et. al (2007) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:17026 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1915950;; |
| BioModels Database Links |
BIOMD0000000494;;BIOMD0000000481;; |
| CAS Registry Numbers |
57-83-0;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
progesterone;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and o |
| DrugBank Database Links |
DB00396;; |
| Formulae |
C21H30O2;; |
| Gmelin Registry Numbers |
708590;; |
| INN |
|
| IUPAC Names |
pregn-4-ene-3,20-dione;; |
| InChI |
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1;; |
| InChIKey |
RJKFOVLPORLFTN-LEKSSAKUSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 1.3.1.30;;EC 1.14.99.4;;EC 1.14.99.14;;EC 1.14.15.8;;EC 1.14.13.54;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00066 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
314.46170;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008123685;;WO2007132215;;WO2007128349;;WO2007123790;;WO2007119185;;WO2007118205;;WO2007118135;;WO2007117466;;WO2007117352;;WO2007114549;;WO2007109853;;WO2007103294;;WO2007103162;;WO2007101873;;WO2007101202;;WO2007100684;;WO2007098384;;WO2007098382;;WO2 |
| PubChem Database Links |
8144717;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9506942;;8013217;;7962560;;532984;;4922128;;3184927;;3149454;;2167478;;17747122;;16320790;;16210365;;1620285;;15983176;;15900045;;15894940;;15771927;;15572662;;15135772;;15105800;;11108887;;10438974;;10030672;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-5601976;;R-HSA-5601843;;R-HSA-2534388;;R-HSA-2534359;;R-HSA-193964;;R-HSA-193072;;R-HSA-193052;; |
| Rhea Database Links |
RHEA:50304;;RHEA:47260;;RHEA:47252;;RHEA:46660;;RHEA:46308;;RHEA:46216;;RHEA:46016;;RHEA:43928;;RHEA:42112;;RHEA:42108;;RHEA:27337;;RHEA:21952;;RHEA:18205;;RHEA:11984;;RHEA:11700;; |
| SABIO-RK Database Links |
7911;;7671;;7228;;2191;;2188;;2182;;2181;;2180;;2179;;13565;;13564;; |
| SMILES |
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O;; |
| Secondary ChEBI ID |
CHEBI:28589;;CHEBI:8453;;CHEBI:439;;CHEBI:26269;;CHEBI:14896;;CHEBI:45786;;CHEBI:18798;; |
| Star |
3;; |
| Synonyms |
progesterone;;luteohormone;;delta(Sup 4)-Pregnene-3,20-dione;;corpus luteum hormone;;beta-Progesterone;;Vitarrine;;Utrogestan;;Utrogest;;Syntolutan;;Synovex S;;Syngestrets;;Syngesterone;;Protormone;;Prontogest;;Prometrium;;Prolutone;;Proluton;;Prolutin;;P |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9XT11;;Q9XSI2;;Q9XSH5;;Q9XFM6;;Q9UMX5;;Q9UJM3;;Q9UBS8;;Q9TV64;;Q9TTR7;;Q9TS45;;Q9STX2;;Q9R1A7;;Q9R0Q7;;Q9QZT0;;Q9QYI3;;Q9NXK6;;Q9NTK1;;Q9N0U7;;Q9JK92;;Q9JI90;;Q9H772;;Q9GMC8;;Q9GMC7;;Q9GLW0;;Q9GLD2;;Q9DCU0;;Q9CQ82;;Q99PD6;;Q99N99;;Q99MS4;;Q99K85;;Q99JZ7; |
| ChEBI Image |
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