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CHEBI:40450 - S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE

Default Structure
ChEBI IDCHEBI:40450
ChEBI NameS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H29N7O3S
Net Charge0
Average Mass423.543
Monoisotopic Mass423.20526
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])S/C(=C(\[H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
InChIInChI=1S/C18H29N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h5,9-10,12,14-15,18,26-27H,1-4,6-8,19-20H2,(H2,21,22,23)/b11-5+/t12-,14-,15-,18-/m1/s1
InChIKeySUUGLGYBZXSJAA-GNKSEPFMSA-N
ChEBI Ontology
Outgoing Relation(s)
S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE (CHEBI:40450) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-S-[(1E)-6-amino-1-(2-aminoethylidene)hexyl]-5'-thioadenosinePDBeChem
S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEPDBeChem
Manual XrefsDatabases
AATPDBeChem