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CHEBI:224125 - Tolypomycin Y

ChEBI IDCHEBI:224125
ChEBI NameTolypomycin Y
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54N2O14
Net Charge0
Average Mass822.905
Monoisotopic Mass822.35750
SMILESCO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=N[C@@H]2CC[C@@H](O)O[C@H]2C)C=C(NC(=O)/C(C)=C\C(=O)[C@@H]2C[C@@H]2[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
InChIInChI=1S/C43H54N2O14/c1-17-14-29(47)24-15-25(24)36(50)19(3)35(49)20(4)39(58-23(7)46)18(2)30(55-9)12-13-56-43(8)41(53)34-32-27(44-26-10-11-31(48)57-22(26)6)16-28(45-42(17)54)38(52)33(32)37(51)21(5)40(34)59-43/h12-14,16,18-20,22,24-26,30-31,35-36,39,48-51H,10-11,15H2,1-9H3,(H,45,54)/b13-12-,17-14-,44-27?/t18-,19+,20-,22+,24-,25+,26-,30-,31+,35-,36-,39-,43+/m1/s1
InChIKeyRYCBEGMWBUYSAD-QWSVEVIGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5140528)
ChEBI Ontology
Outgoing Relation(s)
Tolypomycin Y (CHEBI:224125) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(7S,9Z,11R,12R,13S,14R,15R,16R,17S,18S,20R,22Z)-2,15,17-trihydroxy-28-[(2S,3R,6S)-6-hydroxy-2-methyloxan-3-yl]imino-11-methoxy-3,7,12,14,16,23-hexamethyl-6,21,24,30-tetraoxo-8,31-dioxa-25-azapentacyclo[24.3.1.14,7.05,29.018,20]hentriaconta-1(29),2,4,9,22,26-hexaen-13-yl] acetate
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