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CHEBI:36779 - sapphyrin

ChEBI IDCHEBI:36779
ChEBI Namesapphyrin
Stars
DefinitionA cyclic pentapyrrole where the five pyrrole units are joined at their 2- and 5-positions via four methine linkages and one direct 2-5'-linkage.
Last Modified14 November 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC24H17N5
Net Charge0
Average Mass375.435
Monoisotopic Mass375.14840
SMILESC1=Cc2cc3ccc(n3)c3ccc(cc4nc(cc5ccc(cc1n2)n5)C=C4)n3
InChIInChI=1S/C24H17N5/c1-2-16-12-18-4-6-20(27-18)14-22-8-10-24(29-22)23-9-7-21(28-23)13-19-5-3-17(26-19)11-15(1)25-16/h1-14,25,28-29H/b15-11-,16-12-,17-11-,18-12-,19-13-,20-14-,21-13-,22-14-,24-23-
InChIKeyCOFLCBMDHTVQRA-DABHNVCVSA-N
ChEBI Ontology
Outgoing Relation(s)
sapphyrin (CHEBI:36779) is a sapphyrins (CHEBI:50286)
IUPAC Names 
sapphyrin
(6Z,11Z,15Z,20Z)-25,26,27,28,29-pentaazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene
Registry NumbersSources
Reaxys:7662683Reaxys
Citations