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CHEBI:34532 - Alprostadil alfadex

Default Structure
ChEBI IDCHEBI:34532
ChEBI NameAlprostadil alfadex
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H34O5.C36H60O30
Net Charge0
Average Mass1327.333
Monoisotopic Mass1326.55756
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
InChIInChI=1S/C36H60O30.C20H34O5/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h7-54H,1-6H2;12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b;13-12+/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;15-,16+,17+,19+/m10/s1
InChIKeyLYRPNNXUPAXZGU-OJQZDGIKSA-N
ChEBI Ontology
Outgoing Relation(s)
Alprostadil alfadex (CHEBI:34532) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
Alprostadil alfadexKEGG COMPOUND
G 511KEGG COMPOUND
Manual XrefsDatabases
C13548KEGG COMPOUND
Registry NumbersSources
CAS:55648-20-9KEGG COMPOUND