Chem
J-GLOBAL ID：200907095696686956   Nikkaji number：J2.763.156H

Precorrin 8

プレコリン8
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(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/t21-,25+,26+,27-,40?,41+,42-,43-,44-,45-/m0/s1
InChI key： IGCZFSMEIXUSJY-IAJFIUFCSA-N
SMILES： C[C@H]1C2=N[C@@](C)(CC3=NC(=C(C)C4=N[C@@](C)(C5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O)C(=C2CCC(=O)O)C
Systematic name  (3)：
  • (1R,11S,15R)-2β,7β,18β-トリス(カルボキシメチル)-1,2,5,7,11,12,15,17-オクタメチル-12,13,24-トリデヒドロ-10,11,15-トリヒドロコリーン-3α,8α,13,17α-テトラプロピオン酸
  • 3-[(1R,3R,4R,6R,10S,13S,14S,18S,19S)-4,13,18-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)-1,4,6,9,10,14,16,19-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(23),7(22),8,12(21),15,17(20)-ヘキサエン-8-イル]プロパン酸
  • 3-[(1R,3R,4R,6R,10S,13S,14S,18S,19S)-4,13,18-tris(2-carboxyethyl)-3,14,19-tris(carboxymethyl)-1,4,6,9,10,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5(23),7(22),8,12(21),15,17(20)-hexaen-8-yl]propanoic acid
Other name (7)：
  • (1R,11S,15R)-2β,7β,18β-Tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethyl-12,13,24-tridehydro-10,11,15-trihydrocorrin-3α,8α,13,17α-tetrapropionic acid
  • Precorrin 8X
  • Precorrin 8
  • プレコリン8X
  • プレコリン8
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CAS registry number： 139663-56-2
KEGG COMPOUND： C06408
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