CHEBI:210010 - Purincyclamide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Purincyclamide
ChEBI ID CHEBI:210010
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H22N8O4
Net Charge 0
Average Mass 510.514
Monoisotopic Mass 510.17640
InChI InChI=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
InChIKey SXZONORJYYEBHG-FQACVAMJSA-N
SMILES O=C/1N2[C@H]3NC=4C=CC=CC4[C@@]3(C5=NC=6C(=O)NC(=NC6N5C)N)C[C@H]2C(=O)N\C1=C/C7=CC=C(O)C=C7
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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