Chem
J-GLOBAL ID：200907052468444038   Nikkaji number：J39.042I

Uroporphyrinogen I

ウロポルフィリノーゲンI
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： C40H44N4O16
Molecular formula furigana： C40-H44-N4-O16
Molecular weight： 836.804
InChI： InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChI key： QTTNOSKSLATGQB-UHFFFAOYSA-N
SMILES： OC(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC(=O)O)c(CCC(=O)O)c5CC(=O)O)c(CCC(=O)O)c4CC(=O)O)c(CCC(=O)O)c3CC(=O)O
Systematic name  (4)：
  • 5,10,15,20,22,24-ヘキサヒドロウロポルフィリンI
  • 2,7,12,17-テトラキス(2-オキソ-2-ヒドロキシエチル)-3,8,13,18-テトラキス(3-オキソ-3-ヒドロキシプロピル)-5,10,15,20,22,24-ヘキサヒドロ-21H,23H-ポルフィリン
  • 3-[9,14,19-トリス(2-カルボキシエチル)-5,10,15,20-テトラキス(カルボキシメチル)-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(20),3,5,8,10,13,15,18-オクタエン-4-イル]プロパン酸
  • 3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
Other name (4)：
  • ウロポルフィリノーゲンI
  • Uroporphyrinogen I
  • 5,10,15,20,22,24-Hexahydrouroporphyrin I
  • 2,7,12,17-Tetrakis(2-oxo-2-hydroxyethyl)-3,8,13,18-tetrakis(3-oxo-3-hydroxypropyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphyrin
CAS registry number： 1867-62-5
KEGG COMPOUND： C05766
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