CHEBI:86495 - spirit blue(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name spirit blue(1+)
ChEBI ID CHEBI:86495
Definition An organic cation obtained by protonation of spirit blue base.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H30N3
Net Charge +1
Average Mass 516.65370
Monoisotopic Mass 516.24342
InChI InChI=1S/C37H29N3/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-39H/p+1
InChIKey MIIMIZNJMPQNKO-UHFFFAOYSA-O
SMILES [H+].N(c1ccccc1)c1ccc(cc1)C(=C1C=CC(C=C1)=Nc1ccccc1)c1ccc(Nc2ccccc2)cc1
ChEBI Ontology
Outgoing spirit blue(1+) (CHEBI:86495) is a organic cation (CHEBI:25697)
spirit blue(1+) (CHEBI:86495) is conjugate acid of spirit blue base (CHEBI:86491)
Incoming spirit blue (CHEBI:86483) has part spirit blue(1+) (CHEBI:86495)
spirit blue base (CHEBI:86491) is conjugate base of spirit blue(1+) (CHEBI:86495)
Synonym Source
spirit blue cation ChEBI
Last Modified
15 July 2015