Chem
J-GLOBAL ID：200907091963867617   Nikkaji number：J390.795C

Syringotoxin

シリンゴトキシン
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： C48H82ClN11O18
Molecular formula furigana： C48-H82-CL-N11-O18
Molecular weight： 1136.690
InChI： InChI=1S/C48H82ClN11O18/c1-4-6-7-8-9-10-11-12-13-15-27(63)22-34(65)54-32-25-78-48(77)37(33(64)23-49)59-46(74)38(39(67)47(75)76)60-41(69)28(5-2)55-45(73)36(26(3)62)58-43(71)29(16-14-19-50)56-42(70)31(18-21-61)53-35(66)24-52-40(68)30(17-20-51)57-44(32)72/h5,26-27,29-33,36-39,61-64,67H,4,6-25,50-51H2,1-3H3,(H,52,68)(H,53,66)(H,54,65)(H,55,73)(H,56,70)(H,57,72)(H,58,71)(H,59,74)(H,60,69)(H,75,76)/t26-,27?,29?,30?,31?,32?,33-,36-,37?,38-,39?/m0/s1
InChI key： GFIQMTUSPKSFSY-AUOPWDFISA-N
SMILES： CCCCCCCCCCCC(O)CC(=O)NC1COC(=O)C(NC(=O)[C@@H](NC(=O)C(=CC)NC(=O)[C@@H](NC(=O)C(CCCN)NC(=O)C(CCO)NC(=O)CNC(=O)C(CCN)NC1=O)[C@H](C)O)C(O)C(=O)O)[C@@H](O)CCl
Systematic name  (3)：
  • N-(3-ヒドロキシミリストイル)シクロ(L-Ser*-D-A2bu-Gly-D-Hse-L-Orn-L-aThr-2,3-ジデヒドロ-L-Abu-3-ヒドロキシ-L-Asp-4-クロロ-L-aThr-)
  • 2-[(3S,6S,12S,15S,18R,24R,27S)-24-(2-アミノエチル)-15-(3-アミノプロピル)-3-[(1R)-2-クロロ-1-ヒドロキシエチル]-9-エチリデン-18-(2-ヒドロキシエチル)-12-[(1S)-1-ヒドロキシエチル]-27-(3-ヒドロキシテトラデカンアミド)-2,5,8,11,14,17,20,23,26-ノナオキソ-1-オキサ-4,7,10,13,16,19,22,25-オクタアザシクロオクタコサン-6-イル]-2-ヒドロキシ酢酸
  • 2-[(3S,6S,12S,15S,18R,24R,27S)-24-(2-aminoethyl)-15-(3-aminopropyl)-3-[(1R)-2-chloro-1-hydroxyethyl]-9-ethylidene-18-(2-hydroxyethyl)-12-[(1S)-1-hydroxyethyl]-27-(3-hydroxytetradecanamido)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-6-yl]-2-hydroxyacetic acid
Other name (5)：
  • シリンゴトキシンB
  • Syringotoxin B
  • N-(3-Hydroxymyristoyl)cyclo(L-Ser*-D-A2bu-Gly-D-Hse-L-Orn-L-aThr-2,3-didehydro-L-Abu-3-hydroxy-L-Asp-4-chloro-L-aThr-)
  • シリンゴトキシン
  • Syringotoxin
CAS registry number： 65547-14-0
Application (3)：
peptide antibiotics ,  antifungal drug ,  bacterial toxin
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