Chem
J-GLOBAL ID：200907036880635233   Nikkaji number：J2.144.750A

Hydrogenobyrinate

ヒドロゲノビリン酸
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： C45H60N4O14
Molecular formula furigana： C45-H60-N4-O14
Molecular weight： 880.989
InChI： InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b28-18-,38-21-,39-22?/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
InChI key： ALLJLLMNGBKZLT-ZJHVDYFUSA-N
SMILES： C/C/1=C\2/N[C@H]([C@H](CC(=O)O)[C@@]2(C)CCC(=O)O)[C@]2(C)N=C([C@@H](CCC(=O)O)[C@]2(C)CC(=O)O)C(=C2N=C(/C=C/3\N=C1[C@@H](CCC(=O)O)C3(C)C)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O)C
Systematic name  (3)：
  • (1R,19R)-2β,7β,18β-トリス(カルボキシメチル)-1,2,5,7,12,12,15,17-オクタメチルコリーン-3α,8α,13α,17α-テトラプロパン酸
  • 3-[(1R,2R,3R,4R,5Z,8S,10Z,13S,14S,18S,19S)-8,13,18-トリス(2-カルボキシエチル)-3,14,19-トリス(カルボキシメチル)-1,4,6,9,9,14,16,19-オクタメチル-20,21,22,23-テトラアザペンタシクロ[15.2.1.12,5.17,10.112,15]トリコサ-5,7(22),10,12(21),15,17(20)-ヘキサエン-4-イル]プロパン酸
  • 3-[(1R,2R,3R,4R,5Z,8S,10Z,13S,14S,18S,19S)-8,13,18-tris(2-carboxyethyl)-3,14,19-tris(carboxymethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-4-yl]propanoic acid
Other name (6)：
  • (1R,19R)-2β,7β,18β-Tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethylcorrin-3α,8α,13α,17α-tetrapropanoic acid
  • Hydrogenobyrinic acid
  • ヒドロゲノビリン酸
  • Decobaltcobyrinic acid
  • デコバルトコビリン酸
Show all
CAS registry number： 23599-55-5
KEGG COMPOUND： C06399
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