CHEBI:79459 - 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
ChEBI ID CHEBI:79459
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32O3
Net Charge 0
Average Mass 344.48770
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-4-10-22(24)13-19-18-7-5-14-12-15(25-3)6-8-16(14)17(18)9-11-21(19,2)20(22)23/h6,8,12,17-20,23-24H,4-5,7,9-11,13H2,1-3H3/t17-,18-,19+,20-,21+,22+/m1/s1
InChIKey CVNVHOYBHQEWMN-BTOHRNCKSA-N
SMILES CCC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)[C@H]1O
ChEBI Ontology
Outgoing 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79459) has parent hydride estrane (CHEBI:23966)
16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79459) is a steroid (CHEBI:35341)
Manual Xref Database
C14934 KEGG COMPOUND
View more database links