OntologieschebiclassesCHEBI:138285   
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pyridinestrone-3-carboxylic acid
http://purl.obolibrary.org/obo/CHEBI_138285

An aza-steroid that is 17-oxoestra-1,3,5(10)-triene-3-carboxylic acid in which the carbon at position 4 in the A-ring has been replaced by a nitrogen. An abiotic metabolite in the 4,5-seco pathway of aerobic estrogen degradation by the bacterium Sphingomonas sp. strain KC8.

Also appears inslm
Exact Synonyms
(4bS,6aS,9aS,9bR)-6a-methyl-7-oxo-5,6,6a,7,8,9,9a,9b,10,11-decahydro-4bH-indeno[5,4-f]quinoline-2-carboxylic acid
Related Synonyms
4-aza-17-oxoestra-1,3,5(10)-triene-3-carboxylic acid
pyridinestrone acid
class Information
charge

0

formula

C18H21NO3

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C18H21NO3/c1-18-9-8-10-11(13(18)4-7-16(18)20)2-5-14-12(10)3-6-15(19-14)17(21)22/h3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,21,22)/t10-,11+,13-,18-/m0/s1

inchikey

SSCPJWFEGZXWAB-IMEWIIRVSA-N

in_subset

3_STAR

mass

299.365

monoisotopicmass

299.15214

smiles

C1[C@]2([C@]3([C@@](C4=C(N=C(C=C4)C(O)=O)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]

class Relations