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CHEBI:198588 - Gutingimycin

ChEBI IDCHEBI:198588
ChEBI NameGutingimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H57N5O21
Net Charge0
Average Mass1027.987
Monoisotopic Mass1027.35460
SMILESCOc1c2c(c(O)c3c4c(c(C)cc13)[C@@H]1O[C@@]3(C(OC)OC)O[C@@H]1[C@@](O[C@H]1CC(O)[C@@](O)(C(C)=O)C(C)O1)(O4)[C@@]3(O)Cn1cnc3nc(N)nc(=O)c31)C(=O)C(O)CC2O[C@H]1CC(C)(O)[C@H](OC(C)=O)C(C)O1
InChIInChI=1S/C47H57N5O21/c1-16-10-21-28(33(58)30-29(34(21)63-7)23(11-22(55)32(30)57)69-26-13-43(6,60)37(17(2)66-26)68-20(5)54)35-27(16)36-38-46(71-35,70-25-12-24(56)45(62,18(3)53)19(4)67-25)44(61,47(72-36,73-38)41(64-8)65-9)14-52-15-49-39-31(52)40(59)51-42(48)50-39/h10,15,17,19,22-26,36-38,41,55-56,58,60-62H,11-14H2,1-9H3,(H3,48,50,51,59)/t17?,19?,22?,23?,24?,25-,26-,36-,37+,38-,43?,44-,45+,46+,47-/m0/s1
InChIKeyAQNXBHLKTFXZNI-SOROEEJSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (14991799)
ChEBI Ontology
Outgoing Relation(s)
Gutingimycin (CHEBI:198588) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name 
[(3R,6R)-6-[[(1S,17S,18S,19R,21S)-17-[(2S,5S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy-18-[(2-amino-6-oxo-3H-purin-7-yl)methyl]-19-(dimethoxymethyl)-10,13,18-trihydroxy-6-methoxy-3-methyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaen-8-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
Manual XrefsDatabases
10480073ChemSpider