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CHEBI:225279 - Streptcytosine O

ChEBI IDCHEBI:225279
ChEBI NameStreptcytosine O
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SubmitterMetaboLights
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FormulaC21H26N4O5
Net Charge0
Average Mass414.462
Monoisotopic Mass414.19032
SMILESCC(=O)C(C)Nc1ccc(C(=O)Nc2ccn([C@H]3CC[C@H](O)[C@@H](C)O3)c(=O)n2)cc1
InChIInChI=1S/C21H26N4O5/c1-12(13(2)26)22-16-6-4-15(5-7-16)20(28)23-18-10-11-25(21(29)24-18)19-9-8-17(27)14(3)30-19/h4-7,10-12,14,17,19,22,27H,8-9H2,1-3H3,(H,23,24,28,29)/t12?,14-,17+,19-/m1/s1
InChIKeyLXOPXDQGRSINGA-WFXCBSHCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31436991)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Streptcytosine O (CHEBI:225279) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name 
N-[1-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-4-(3-oxobutan-2-ylamino)benzamide
Manual XrefsDatabases
81360826ChemSpider