Statements (34)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:charge |
0
|
| gptkbp:form |
C47H73NO17
|
| gptkbp:hasInChIKey |
JQKQJHPOJXJZKJ-UIQHDFJUSA-N
|
| gptkbp:hasMonoisotopicMass |
923.488
|
| gptkbp:hasRole |
gptkb:antibiotic
antineoplastic agent metabolite plant metabolite |
| gptkbp:hasSMILES |
CC1C(C(C(O1)OC)O)OC2C(C(C(C(C2O)O)O)O)O
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEBI:75431
|
| gptkbp:isA |
gptkb:antibiotic
natural product antineoplastic agent lactone metabolite polyol Glycoside polyketide macrocycle plant metabolite C-glycosyl compound O-glycosyl compound carboxylic ester hexopyranose organic heterotricyclic compound oxygen heterocycle spiro compound tetrahydropyran |
| gptkbp:isConjugateBaseOf |
CHEBI:75432
|
| gptkbp:IUPACName |
(1S,2R,3S,4R,5S,6R,7R,8R,9S,10R,11R,12R,13S,14R,15R,16R,17R,18R,19R,20R,21R,22R,23R,24R,25R,26R,27R,28R,29R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R)-47-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-lyxo-hexopyranosyl)oxy]-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosahydroxy-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-tetracosaoxo-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48-octacyclo[47.1.0.0^{2,4}.0^{6,8}.0^{10,12}.0^{14,16}.0^{18,20}.0^{22,24}.0^{26,28}.0^{30,32}.0^{34,36}.0^{38,40}.0^{42,44}.0^{46,48}]octatetracontane
|
| gptkbp:mass |
924.495
|
| gptkbp:bfsParent |
gptkb:Ghrelin
|
| gptkbp:bfsLayer |
6
|