CHEBI:85377 - 8-methoxypyrene-1,3,6-trisulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-methoxypyrene-1,3,6-trisulfonic acid
ChEBI ID CHEBI:85377
Definition An arenesulfonic acid consisting of pyrene methoxy-substituted at C-8 and substituted at C-1, -3 and 6 by sulfonic acid groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C17H12O10S3
Net Charge 0
Average Mass 472.470
Monoisotopic Mass 471.95926
InChI InChI=1S/C17H12O10S3/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)
InChIKey CTERCLHSWSQHSD-UHFFFAOYSA-N
SMILES C12=C3C4=CC=C1C(=CC(=C2C=CC3=C(C=C4S(=O)(O)=O)S(=O)(O)=O)OC)S(=O)(O)=O
ChEBI Ontology
Outgoing 8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) has parent hydride pyrene (CHEBI:39106)
8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) is a arenesulfonic acid (CHEBI:33555)
8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) is conjugate acid of 8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85380)
Incoming 8-methoxypyrene-1,3,6-trisulfonate (CHEBI:85380) is conjugate base of 8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377)
IUPAC Name
8-methoxypyrene-1,3,6-trisulfonic acid
Synonym Source
MTPS ChEBI
Manual Xref Database
2M9 PDBeChem
View more database links
Registry Number Type Source
9093934 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25756188 PubMed citation Europe PMC
Last Modified
17 January 2019