EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203128 - N-(6-O-carbamoyl-beta-D-glucopyranosyl)-N-demethylansamitocin P

ChEBI IDCHEBI:203128
ChEBI NameN-(6-O-carbamoyl-beta-D-glucopyranosyl)-N-demethylansamitocin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H50ClN3O15
Net Charge0
Average Mass812.266
Monoisotopic Mass811.29305
SMILESCCC(=O)O[C@H]1CC(=O)N([C@@H]2O[C@H](COC(N)=O)[C@@H](O)[C@H](O)[C@H]2O)c2cc(cc(OC)c2Cl)C/C(C)=C\C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C
InChIInChI=1S/C37H50ClN3O15/c1-7-27(43)55-25-14-26(42)41(33-31(46)30(45)29(44)23(53-33)16-52-34(39)47)20-12-19(13-21(50-5)28(20)38)11-17(2)9-8-10-24(51-6)37(49)15-22(54-35(48)40-37)18(3)32-36(25,4)56-32/h8-10,12-13,18,22-25,29-33,44-46,49H,7,11,14-16H2,1-6H3,(H2,39,47)(H,40,48)/b10-8-,17-9-/t18-,22+,23-,24-,25+,29-,30+,31-,32+,33-,36+,37+/m1/s1
InChIKeyYORHSEYBWHGBQM-KMKLMHINSA-N
Species of MetaboliteComponentSourceComments
Actinosynnema pretiosum (ncbitaxon:42197) - DOI (10.1002/hlca.201200072)
ChEBI Ontology
Outgoing Relation(s)
N-(6-O-carbamoyl-beta-D-glucopyranosyl)-N-demethylansamitocin P (CHEBI:203128) is a O-acyl carbohydrate (CHEBI:52782)
N-(6-O-carbamoyl-beta-D-glucopyranosyl)-N-demethylansamitocin P (CHEBI:203128) is a fatty acid derivative (CHEBI:61697)
IUPAC Name 
[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-9-[(2R,3R,4S,5S,6R)-6-(carbamoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] propanoate