Chem
J-GLOBAL ID：200907041338821121   Nikkaji number：J1.836.388G

Cobinamide

コルフィンアミド
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： C48H72[Co+2]N11O8
Molecular formula furigana： C48-H72-CO-N11-O8
Molecular weight： 990.105
InChI： InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+3/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1
InChI key： FEESAGIUMZGLMF-JFYQDRLCSA-M
SMILES： C[C@@H](O)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N3C1=C(C)C1=[N]4C(=CC5=[N]6C(=C(C)C7=[N]([C@]2(C)[C@@](C)(CC(=O)N)[C@@H]7CCC(=O)N)[Co+2]346)[C@@](C)(CC(=O)N)[C@@H]5CCC(=O)N)C(C)(C)[C@@H]1CCC(=O)N
Systematic name  (3)：
  • コビンアミド
  • (3R,4S,5S,9S,10S,15S,19R,20R,21R)-5,10,15-トリス(2-カルバモイルエチル)-4,9,20-トリス(カルバモイルメチル)-19-(2-{[(2R)-2-ヒドロキシプロピル]カルバモイル}エチル)-3,4,7,9,14,14,17,19-オクタメチル-2λ4,22,23λ4,24λ4-テトラアザ-1-コバルタオクタシクロ[11.9.1.11,8.02,6.03,21.016,23.018,22.011,24]テトラコサ-2(6),7,11(24),12,16(23),17-ヘキサエン-1,1-ビス(イリウム)
  • (3R,4S,5S,9S,10S,15S,19R,20R,21R)-5,10,15-tris(2-carbamoylethyl)-4,9,20-tris(carbamoylmethyl)-19-(2-{[(2R)-2-hydroxypropyl]carbamoyl}ethyl)-3,4,7,9,14,14,17,19-octamethyl-2λ4,22,23λ4,24λ4-tetraaza-1-cobaltaoctacyclo[11.9.1.11,8.02,6.03,21.016,23.018,22.011,24]tetracosa-2(6),7,11(24),12,16(23),17-hexaene-1,1-bis(ylium)
Other name (7)：
  • Cobinamide
  • コビン酸-abcdeg-ヘキサミド
  • Cobinic acid-abcdeg-hexamide
  • Nf-(2-ヒドロキシプロピル)コビリンアミド
  • Nf-(2-Hydroxypropyl)cobyrinamide
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CAS registry number： 13497-85-3
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