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CHEBI:41664 - CYCLOTHEONAMIDE A

Default Structure
ChEBI IDCHEBI:41664
ChEBI NameCYCLOTHEONAMIDE A
Stars
DownloadsMolfile
FormulaC36H45N9O8
Net Charge0
Average Mass731.811
Monoisotopic Mass731.33911
SMILES[H]/N=C(/N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)C(=O)N([H])[C@]([H])(C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C(=O)N([H])[C@@]([H])(C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])/C([H])=C(\[H])C(=O)N([H])C([H])([H])[C@]([H])(N([H])C([H])=O)C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)N1[H]
InChIInChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1
InChIKeyCDWXSPKJKIUEQF-BIXWYCRZSA-N
ChEBI Ontology
Outgoing Relation(s)
CYCLOTHEONAMIDE A (CHEBI:41664) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-{3-[(3S,7R,10S,11E,16S,21aS)-7-benzyl-16-(formylamino)-10-(4-hydroxybenzyl)-1,4,5,8,13,17-hexaoxo-2,3,4,5,6,7,8,9,10,13,14,15,16,17,19,20,21,21a-octadecahydro-1H-pyrrolo[2,1-j][1,4,8,11,15]pentaazacyclononadecin-3-yl]propyl}guanidinePDBeChem
CYCLOTHEONAMIDE APDBeChem
Manual XrefsDatabases
CTAPDBeChem