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CHEBI:40794 - ARYLOMYCIN A2

Default Structure
ChEBI IDCHEBI:40794
ChEBI NameARYLOMYCIN A2
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC42H60N6O11
Net Charge0
Average Mass824.973
Monoisotopic Mass824.43201
SMILES[H]OC(=O)[C@@]1([H])N([H])C(=O)[C@]([H])(C([H])([H])[H])N([H])C(=O)[C@@]([H])(N(C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])[H])c2c([H])c([H])c(O[H])c(c2[H])-c2c([H])c(c([H])c([H])c2O[H])C1([H])[H]
InChIInChI=1S/C42H60N6O11/c1-24(2)13-11-9-7-8-10-12-14-35(52)47(5)32(23-49)40(56)44-25(3)38(54)43-22-36(53)48(6)37-28-16-18-34(51)30(21-28)29-19-27(15-17-33(29)50)20-31(42(58)59)46-39(55)26(4)45-41(37)57/h15-19,21,24-26,31-32,37,49-51H,7-14,20,22-23H2,1-6H3,(H,43,54)(H,44,56)(H,45,57)(H,46,55)(H,58,59)/t25-,26+,31+,32-,37+/m1/s1
InChIKeyYFSXYWAZCKMYJN-JBBOGOJTSA-N
ChEBI Ontology
Outgoing Relation(s)
ARYLOMYCIN A2 (CHEBI:40794) is a unclassifieds (CHEBI:27189)
Synonyms  Source
ARYLOMYCIN A2PDBeChem
N-methyl-N-(10-methylundecanoyl)-D-seryl-D-alanyl-N-[(7S,10S,13S)-13-carboxy-3,18-dihydroxy-10-methyl-8,11-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaen-7-yl]-N-methylglycinamidePDBeChem
Manual XrefsDatabases
ARYPDBeChem