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CHEBI:185294 - 3-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid

ChEBI IDCHEBI:185294
ChEBI Name3-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H39N7O16P2S
Net Charge0
Average Mass787.635
Monoisotopic Mass787.16492
SMILESCC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C25H39N7O16P2S/c1-12(23(38)39)24(40)51-7-6-27-14(33)4-5-28-21(37)18(36)25(2,3)9-46-50(43,44)48-49(41,42)45-8-13-16(34)17(35)22(47-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-36H,4-9H2,1-3H3,(H,27,33)(H,28,37)(H,38,39)(H,41,42)(H,43,44)(H2,26,29,30)
InChIKeySBXQZCXWIOOJCV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid (CHEBI:185294) is a purine ribonucleoside diphosphate (CHEBI:26396)
IUPAC Name 
3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulanyl]-2-methyl-3-oxopropanoic acid