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CHEBI:43350 - O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE

Default Structure
ChEBI IDCHEBI:43350
ChEBI NameO5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC37H51N5O7
Net Charge0
Average Mass677.843
Monoisotopic Mass677.37885
SMILES[H]Oc1c([H])c([H])c2c(c1[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[C@@]4([H])O[C@@]([H])(n5c([H])nc6c(N([H])[H])nc([H])nc65)[C@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
InChIInChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1
InChIKeyCKSDYJASHNGOOS-KTXOUVACSA-N
ChEBI Ontology
Outgoing Relation(s)
O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE (CHEBI:43350) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-{9-[(9beta,13alpha,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]nonanoyl}adenosinePDBeChem
O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINEPDBeChem
Manual XrefsDatabases
HYCPDBeChem