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CHEBI:234133 - Cu(II) meso-Tetra(4-sulfonatophenyl) porphine

ChEBI IDCHEBI:234133
ChEBI NameCu(II) meso-Tetra(4-sulfonatophenyl) porphine
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC44H28N4O12S4.Cu
Net Charge0
Average Mass996.538
Monoisotopic Mass994.98825
SMILESO=S(=O)(O)c1ccc(-c2c3ccc([n-]3)c(-c3ccc(S(=O)(=O)O)cc3)c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([n-]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc2C=C4)C=C3)cc1.[Cu+2]
InChIInChI=1S/C44H28N4O12S4.Cu/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyFBYAOHXWXCVHGH-DAJBKUBHSA-N
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
Cu(II) meso-Tetra(4-sulfonatophenyl) porphine (CHEBI:234133) is a porphyrins (CHEBI:26214)
IUPAC Name 
copper;4-[10,15,20-tris(4-sulfophenyl)porphyrin-22,24-diid-5-yl]benzenesulfonic acid
Synonym  Source
5,10,15,20-Tetrakis(4-sulfonatophenyl)-21h,23h-porphine copper(II)SUBMITTER
Citations