CHEBI:36162 - hematoporphyrin

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ChEBI Name hematoporphyrin
Definition A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H38N4O6
Net Charge 0
Average Mass 598.68888
Monoisotopic Mass 598.27913
InChI InChI=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-
SMILES CC(O)c1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3C(C)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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).
(via porphyrins )
Application(s): 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.
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ChEBI Ontology
Outgoing 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)
7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-dipropanoic acid
Synonyms Sources
7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid ChemIDplus
Hämatoporphyrin ChEBI
hematoporphyrin ChemIDplus
hematoporphyrin IX ChemIDplus
Manual Xref Database
3274 DrugCentral
View more database links
Registry Numbers Types Sources
1208096 Beilstein Registry Number Beilstein
1208096 Reaxys Registry Number Reaxys
14459-29-1 CAS Registry Number ChemIDplus
423149 Gmelin Registry Number Gmelin
604648 Beilstein Registry Number Beilstein
78957 Beilstein Registry Number Beilstein
78957 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15581389 PubMed citation Europe PMC
17993275 PubMed citation Europe PMC
19560444 PubMed citation Europe PMC
21282440 PubMed citation Europe PMC
21314289 PubMed citation Europe PMC
21315138 PubMed citation Europe PMC
21447321 PubMed citation Europe PMC
21702446 PubMed citation Europe PMC
21725592 PubMed citation Europe PMC
21769362 PubMed citation Europe PMC
Last Modified
22 February 2017