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CHEBI:36177 - cytoporphyrin

ChEBI IDCHEBI:36177
ChEBI Namecytoporphyrin
Stars
DefinitionA cyclic tetrapyrrole that consists of porphyrin bearing several substituents including methyl, vinyl, formyl, hydroxy and hydroxyalkatrienyl. The parent of the class of cytoporphyrins.
Last Modified14 November 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC49H58N4O6
Net Charge0
Average Mass799.025
Monoisotopic Mass798.43564
SMILES[H]C(=O)C1=C(CCC(=O)O)c2cc3nc(cc4nc(cc5nc(cc1n2)c(C)c5C(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)=C4C=C)c(C)c3CCC(=O)O
InChIInChI=1S/C49H58N4O6/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39/h9,13,15,17,23-27,46,51-52,55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59)/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-
InChIKeyOEKBVRFTJDBKQF-OCDAXXDCSA-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)
cytoporphyrin (CHEBI:36177) is a cytoporphyrins (CHEBI:36178)
cytoporphyrin (CHEBI:36177) is conjugate acid of cytoporphyrinate (CHEBI:36179)
Incoming Relation(s)
cytoporphyrinate (CHEBI:36179) is conjugate base of cytoporphyrin (CHEBI:36177)
IUPAC Name 
7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-dipropanoic acid
Synonyms  Source
cytoporphyrinJCBN
porphyrin aChemIDplus
3-formyl-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-7,12,17-trimethyl-13-vinylporphyrin-2,18-dipropanoic acidIUPAC
Registry NumbersSources
Gmelin:1261522Gmelin
Beilstein:5221043Beilstein
Reaxys:77538Reaxys
Reaxys:17404064Reaxys
CAS:25162-02-1ChemIDplus