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CHEBI:208243 - Thalabetaosamide

ChEBI IDCHEBI:208243
ChEBI NameThalabetaosamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H66N6O21
Net Charge0
Average Mass991.011
Monoisotopic Mass990.42810
SMILESC[C@@H]1CC(=O)N(O)CCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O[C@H](C)CC(=O)N(O)CCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O[C@H](C)CC(=O)N(O)CCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O1
InChIInChI=1S/C42H66N6O21/c1-25-22-34(52)46(64)19-7-5-11-29(44-32(50)14-17-38(57)58)41(62)68-27(3)24-36(54)48(66)21-9-6-12-30(45-33(51)15-18-39(59)60)42(63)69-26(2)23-35(53)47(65)20-8-4-10-28(40(61)67-25)43-31(49)13-16-37(55)56/h25-30,64-66H,4-24H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,55,56)(H,57,58)(H,59,60)/t25-,26-,27-,28-,29-,30-/m1/s1
InChIKeyUQRIZEBFHSXLEZ-VHNXJUCRSA-N
Species of MetaboliteComponentSourceComments
Thalassospira profundimaris (ncbitaxon:502049) - PubMed (28840714)
ChEBI Ontology
Outgoing Relation(s)
Thalabetaosamide (CHEBI:208243) has functional parent pentacarboxylic acid (CHEBI:35743)
Thalabetaosamide (CHEBI:208243) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[[(2R,10R,13R,21R,24R,32R)-21,32-bis(3-carboxypropanoylamino)-5,16,27-trihydroxy-2,13,24-trimethyl-4,11,15,22,26,33-hexaoxo-1,12,23-trioxa-5,16,27-triazacyclotritriacont-10-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
62350568ChemSpider