Chem
J-GLOBAL ID：200907039010974902   Nikkaji number：J1.830.348E

Ligand of α-hydroxyhaem

α-ヒドロキシヘムの配位子
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H33N4O5
Molecular formula furigana： C34-H33-N4-O5
Molecular weight： 577.661
InChI： InChI=1S/C34H33N4O5/c1-7-20-19(6)32-34(43)33-21(8-2)16(3)26(37-33)13-24-17(4)22(9-11-30(39)40)28(35-24)15-29-23(10-12-31(41)42)18(5)25(36-29)14-27(20)38-32/h7-8,13-15,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)
InChI key： SQJPBTLEXRGAGG-UHFFFAOYSA-N
SMILES： CC1=C(CCC(=O)O)C2=N/C/1=C\c1[nH]c(/C(=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CCC(=O)O)C(=C3C)C=C)/[O])c(c1C)C=C
Systematic name  (3)：
  • (プロトポルフィリン-5-イルオキシ)ラジカル
  • [10,14-ビス(2-カルボキシエチル)-4,19-ジエテニル-5,9,15,20-テトラメチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]オキシダニル
  • [10,14-bis(2-carboxyethyl)-4,19-diethenyl-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]oxidanyl
Other name (3)：
  • (Protoporphyrin-5-yloxy)radical
  • α-ヒドロキシヘムの配位子
  • Ligand of α-hydroxyhaem
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