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CHEBI:222171 - A201A

ChEBI IDCHEBI:222171
ChEBI NameA201A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H50N6O14
Net Charge0
Average Mass802.835
Monoisotopic Mass802.33850
SMILESCO/C(CO[C@H]1O[C@H](C)[C@@H](OC)[C@H](OC)[C@@H]1O)=C1\O[C@@H](Oc2ccc(/C=C(\C)C(=O)N[C@H]3[C@@H](O)[C@H](n4cnc5c(N(C)C)ncnc54)O[C@@H]3CO)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C37H50N6O14/c1-17(34(49)41-23-21(13-44)56-35(25(23)45)43-16-40-24-32(42(3)4)38-15-39-33(24)43)12-19-8-10-20(11-9-19)55-37-27(47)26(46)30(57-37)22(50-5)14-53-36-28(48)31(52-7)29(51-6)18(2)54-36/h8-12,15-16,18,21,23,25-29,31,35-37,44-48H,13-14H2,1-7H3,(H,41,49)/b17-12+,30-22-/t18-,21-,23-,25-,26-,27+,28+,29-,31-,35-,36+,37-/m1/s1
InChIKeyHELPZWNRUYNCJQ-KLBOBXLXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4019309)
ChEBI Ontology
Outgoing Relation(s)
A201A (CHEBI:222171) is a 3'-deoxyribonucleoside (CHEBI:36987)
A201A (CHEBI:222171) is a purines (CHEBI:26401)
IUPAC Name 
(E)-3-[4-[(2R,3S,4R,5Z)-3,4-dihydroxy-5-[2-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-1-methoxyethylidene]oxolan-2-yl]oxyphenyl]-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-methylprop-2-enamide