CHEBI:135634 - pentagestrone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pentagestrone
ChEBI ID CHEBI:135634
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H38O3
Net Charge 0
Average Mass 398.579
Monoisotopic Mass 398.28210
InChI InChI=1S/C26H38O3/c1-17(27)26(28)15-12-23-21-9-8-18-16-20(29-19-6-4-5-7-19)10-13-24(18,2)22(21)11-14-25(23,26)3/h8,16,19,21-23,28H,4-7,9-15H2,1-3H3/t21-,22+,23+,24+,25+,26+/m1/s1
InChIKey RBFQPFFCDLXWQK-UXUCURBISA-N
SMILES C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C=C(CC4)OC5CCCC5)[H])[H])(CC[C@@]2(C(C)=O)O)[H]
ChEBI Ontology
Outgoing pentagestrone (CHEBI:135634) has parent hydride pregnane (CHEBI:8386)
pentagestrone (CHEBI:135634) is a steroid (CHEBI:35341)
Manual Xref Database
3423 DrugCentral
View more database links
Registry Number Type Source
7001-56-1 CAS Registry Number DrugCentral
Last Modified
23 February 2017