EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:41137 - BISTRAMIDE A

Default Structure
ChEBI IDCHEBI:41137
ChEBI NameBISTRAMIDE A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC40H68N2O8
Net Charge0
Average Mass704.990
Monoisotopic Mass704.49757
SMILES[H]O[C@@]([H])(C([H])([H])N([H])C(=O)C([H])([H])[C@]1([H])O[C@@]([H])(C([H])([H])C(=O)/C([H])=C(\[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])[H])[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])O[C@]2(O[C@]([H])(C([H])([H])C([H])([H])[C@@]([H])(/C([H])=C(\C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33-,34+,35-,36+,37-,40-/m0/s1
InChIKeyHXZRMADPDYFMEB-CPBPHPDTSA-N
ChEBI Ontology
Outgoing Relation(s)
BISTRAMIDE A (CHEBI:41137) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,3R)-3-hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethylhept-4-en-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxopent-3-en-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]butanamidePDBeChem
BISTRAMIDE APDBeChem
Manual XrefsDatabases
BIDPDBeChem