Marvin  06061313422D          

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  1  2  1  1  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  7  2  2  0  0  0  0
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  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  4 15  1  6  0  0  0
  5 13  1  6  0  0  0
  6 12  1  6  0  0  0
 16  7  1  0  0  0  0
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  9  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 11 10  2  0  0  0  0
 19 11  1  0  0  0  0
 16 17  1  6  0  0  0
 20 16  1  0  0  0  0
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 23 20  1  0  0  0  0
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 25 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
> <ID>
CHEBI:15553

> <NAME>
prostaglandin F2alpha

> <DEFINITION>
A prostaglandins Fα that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10913; CHEBI:8516; CHEBI:26327

> <SYNONYM>
U 14583; Protamodin; Prostin F 2 alpha; Prostaglandin F2alpha; Prostaglandin F2a; PGF2alpha; PGF2a; Panacelan; l-Prostaglandin F2-alpha; l-PGF2-alpha; Enzaprost F; Enzaprost; Dinoprost; Cyclosin; Amoglandin; 9a,11a-PGF2; 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid; 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid; (5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate; (+)-Prostaglandin F2a

> <IUPAC_NAME>
(5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dien-1-oic acid

> <INN>
dinoprostum; dinoprosta; dinoprost

> <FORMULA>
C20H34O5

> <MASS>
354.48100

> <MONOISOTOPIC_MASS>
354.24062

> <CHARGE>
0

> <SMILES>
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1

> <INCHIKEY>
PXGPLTODNUVGFL-YNNPMVKQSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2225571

> <CAS_REGISTRY_NUMBER>
551-11-1

> <REAXYS_REGISTRY_NUMBER>
2225571

> <CHEMIDPLUS>
551-11-1

> <KEGG_COMPOUND_ACCESSION>
C00639

> <KEGG_DRUG_ACCESSION>
D00081

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03010002

> <METACYC_ACCESSION>
5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY

> <WIKIPEDIA_ACCESSION>
Dinoprost

> <PUBMED_CITATION>
11438482; 23807981

$$$$