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CHEBI:200573 - EM2487

ChEBI IDCHEBI:200573
ChEBI NameEM2487
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H57N5O16P2
Net Charge0
Average Mass829.775
Monoisotopic Mass829.32755
SMILESCC(C)CCCCCCCCCCCN(C)OP(=O)(O)N(CC(N)=O)P(=O)(O)OC1C(OC[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2O)=C(CO)C(O)C1O
InChIInChI=1S/C32H57N5O16P2/c1-20(2)13-11-9-7-5-4-6-8-10-12-15-35(3)53-55(48,49)37(17-23(33)39)54(46,47)52-30-27(43)25(41)21(18-38)29(30)50-19-22-26(42)28(44)31(51-22)36-16-14-24(40)34-32(36)45/h14,16,20,22,25-28,30-31,38,41-44H,4-13,15,17-19H2,1-3H3,(H2,33,39)(H,46,47)(H,48,49)(H,34,40,45)/t22-,25?,26-,27?,28-,30?,31-/m1/s1
InChIKeyMTKDUTOCKQTOED-HKYCUWNMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10656569)
ChEBI Ontology
Outgoing Relation(s)
EM2487 (CHEBI:200573) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name 
N-(2-amino-2-oxoethyl)-[2-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]oxy-N-[hydroxy-[methyl(12-methyltridecyl)amino]oxyphosphoryl]phosphonamidic acid
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417316ChemSpider