CHEBI:79791 - 16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate
ChEBI ID CHEBI:79791
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H36O5
Net Charge 0
Average Mass 416.55030
Monoisotopic Mass 416.25627
InChI InChI=1S/C25H36O5/c1-5-21(27)29-20-14-19-17-8-7-15-13-16(26)9-11-24(15,3)18(17)10-12-25(19,4)23(20)30-22(28)6-2/h13,17-20,23H,5-12,14H2,1-4H3/t17-,18+,19+,20-,23+,24+,25+/m1/s1
InChIKey CEJCQFWDKRWGSH-ZJASCOGOSA-N
SMILES CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(=O)CC
ChEBI Ontology
Outgoing 16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate (CHEBI:79791) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15289 KEGG COMPOUND
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