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CHEBI:42242 - EDEINE B

Default Structure
ChEBI IDCHEBI:42242
ChEBI NameEDEINE B
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC34H59N11O10
Net Charge0
Average Mass781.913
Monoisotopic Mass781.44464
SMILES[H]/N=C(\N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([H])[C@@]([H])(O[H])[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(O[H])C([H])([H])N([H])C(=O)C([H])([H])[C@@]([H])(c1c([H])c([H])c(O[H])c([H])c1[H])N([H])[H])C([H])([H])N([H])[H]
InChIInChI=1S/C34H59N11O10/c35-17-25(45-33(53)27(48)18-42-29(49)15-23(37)20-8-10-21(46)11-9-20)32(52)44-24(34(54)55)6-3-5-22(36)26(47)16-30(50)43-19-31(51)41-14-4-13-40-12-2-1-7-28(38)39/h8-11,22-27,40,46-48H,1-7,12-19,35-37H2,(H3,38,39)(H,41,51)(H,42,49)(H,43,50)(H,44,52)(H,45,53)(H,54,55)/t22-,23-,24+,25-,26+,27-/m0/s1
InChIKeyWEPSNLBXXUYQJF-LQXCWRENSA-N
ChEBI Ontology
Outgoing Relation(s)
EDEINE B (CHEBI:42242) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,6S,7R)-6-amino-2-({3-amino-N-[(2S)-3-{[(3S)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino}-2-hydroxypropanoyl]-L-alanyl}amino)-9-({2-[(3-{[(5E)-5-amino-5-iminopentyl]amino}propyl)amino]-2-oxoethyl}amino)-7-hydroxy-9-oxononanoic acidPDBeChem
EDEINE BPDBeChem
Manual XrefsDatabases
EDEPDBeChem