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CHEBI:36162 - hematoporphyrin

ChEBI IDCHEBI:36162
ChEBI Namehematoporphyrin
Stars
DefinitionA dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC34H38N4O6
Net Charge0
Average Mass598.700
Monoisotopic Mass598.27913
SMILESCC1=C(CCC(=O)O)c2cc3nc(cc4nc(cc5nc(cc1n2)c(C)c5C(C)O)C(C)=C4C(C)O)c(C)c3CCC(=O)O
InChIInChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-
InChIKeyUJKPHYRXOLRVJJ-AMPAVEGJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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).
Application:
photosensitizing agent  A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.
ChEBI Ontology
Outgoing Relation(s)
hematoporphyrin (CHEBI:36162) has functional parent protoporphyrin (CHEBI:15430)
hematoporphyrin (CHEBI:36162) has role photosensitizing agent (CHEBI:47868)
hematoporphyrin (CHEBI:36162) is a dicarboxylic acid (CHEBI:35692)
hematoporphyrin (CHEBI:36162) is a protoporphyrins (CHEBI:26361)
IUPAC Name 
7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-dipropanoic acid
Synonyms  Source
hematoporphyrinChemIDplus
hematoporphyrin IXChemIDplus
7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acidChemIDplus
HämatoporphyrinChEBI
Manual XrefsDatabases
3274DrugCentral
Registry NumbersSources
Gmelin:423149Gmelin
Beilstein:604648Beilstein
Reaxys:78957Reaxys
Reaxys:1208096Reaxys
CAS:14459-29-1ChemIDplus
Citations