EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221643 - Glycosylated Palythine-threonine

ChEBI IDCHEBI:221643
ChEBI NameGlycosylated Palythine-threonine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40N2O16
Net Charge0
Average Mass612.582
Monoisotopic Mass612.23778
SMILESCOC1=C(N)CC(O)(COC2C(CO)OC(O)C(O)C2O)CC1=NC(C(=O)O)C(C)OC1C(CO)OC(O)C(O)C1O
InChIInChI=1S/C24H40N2O16/c1-8(40-20-12(6-28)42-23(36)17(32)15(20)30)13(21(33)34)26-10-4-24(37,3-9(25)18(10)38-2)7-39-19-11(5-27)41-22(35)16(31)14(19)29/h8,11-17,19-20,22-23,27-32,35-37H,3-7,25H2,1-2H3,(H,33,34)
InChIKeyNCCLCWFTDMUJFW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Heteroscytonema crispum (ncbitaxon:439476) - PubMed (16343324)
ChEBI Ontology
Outgoing Relation(s)
Glycosylated Palythine-threonine (CHEBI:221643) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
2-[[3-amino-5-hydroxy-2-methoxy-5-[[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]cyclohex-2-en-1-ylidene]amino]-3-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxybutanoic acid