Chem
J-GLOBAL ID：200907086008220915   Nikkaji number：J861C

Colistin

コリスチン
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： C51H96N16O13
Molecular formula furigana： C51-H96-N16-O13
Molecular weight： 1141.428
InChI： InChI=1S/C51H96N16O13/c1-26(2)10-9-11-39(70)58-31(12-18-52)46(75)67-41(30(8)69)51(80)63-34(15-21-55)43(72)62-36-17-23-57-50(79)40(29(7)68)66-47(76)35(16-22-56)60-42(71)32(13-19-53)61-48(77)37(24-27(3)4)65-49(78)38(25-28(5)6)64-44(73)33(14-20-54)59-45(36)74/h26-38,40-41,68-69H,9-25,52-56H2,1-8H3,(H,57,79)(H,58,70)(H,59,74)(H,60,71)(H,61,77)(H,62,72)(H,63,80)(H,64,73)(H,65,78)(H,66,76)(H,67,75)/t29-,30-,31+,32+,33?,34+,35+,36?,37+,38-,40?,41+/m1/s1
InChI key： JHBLVGRDTBOUMN-FPPSKATKSA-N
SMILES： CC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)NC1CCNC(=O)C(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(CCN)NC1=O)[C@@H](C)O
Systematic name  (4)：
  • N2-(5-メチルヘキサノイル-L-Dab-L-Thr-L-Dab-)シクロ(L-Dab*-L-Dab-D-Leu-L-Leu-L-Dab-L-Dab-L-Thr-)
  • N2-(5-メチルヘキサノイル-L-A2bu-L-Thr-L-A2bu-)シクロ(L-A2bu*-L-A2bu-D-Leu-L-Leu-L-A2bu-L-A2bu-L-Thr-)
  • N-[(1S)-3-アミノ-1-{[(1S,2R)-1-{[(1S)-3-アミノ-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-トリス(2-アミノエチル)-3-[(1R)-1-ヒドロキシエチル]-12,15-ビス(2-メチルプロピル)-2,5,8,11,14,17,20-ヘプタオキソ-1,4,7,10,13,16,19-ヘプタアザシクロトリコサン-21-イル]カルバモイル}プロピル]カルバモイル}-2-ヒドロキシプロピル]カルバモイル}プロピル]-5-メチルヘキサンアミド
  • N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]-5-methylhexanamide
Other name (18)：
  • コリスチン
  • ポリミキシンE
  • Colistin
  • Polymyxin E
  • コリ-マイシン
Show all
CAS registry number： 1066-17-7
Regulation number (2)：
  • GH1575000
  • EINECS2139073
KEGG DRUG： D07746
Application (3)：
peptide antibiotics ,  animal medicine ,  feed additive
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