EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210010 - Purincyclamide

ChEBI IDCHEBI:210010
ChEBI NamePurincyclamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H22N8O4
Net Charge0
Average Mass510.514
Monoisotopic Mass510.17640
SMILESCn1c([C@]23C[C@H]4C(=O)N/C(=C\c5ccc(O)cc5)C(=O)N4[C@H]2Nc2ccccc23)nc2c(=O)nc(N)nc21
InChIInChI=1S/C26H22N8O4/c1-33-19-18(21(37)32-25(27)31-19)30-23(33)26-11-17-20(36)28-16(10-12-6-8-13(35)9-7-12)22(38)34(17)24(26)29-15-5-3-2-4-14(15)26/h2-10,17,24,29,35H,11H2,1H3,(H,28,36)(H3,27,31,32,37)/b16-10-/t17-,24+,26+/m0/s1
InChIKeySXZONORJYYEBHG-FQACVAMJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31407584)
ChEBI Ontology
Outgoing Relation(s)
Purincyclamide (CHEBI:210010) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4Z,7S,9S)-9-(2-amino-9-methyl-6-oxo-1H-purin-8-yl)-4-[(4-hydroxyphenyl)methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione