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CHEBI:222779 - I5B2

ChEBI IDCHEBI:222779
ChEBI NameI5B2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32N3O7P
Net Charge0
Average Mass493.497
Monoisotopic Mass493.19779
SMILESCN[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)P(=O)(O)O)C(C)C
InChIInChI=1S/C23H32N3O7P/c1-14(2)21(24-3)23(30)25-19(12-15-4-8-17(27)9-5-15)22(29)26-20(34(31,32)33)13-16-6-10-18(28)11-7-16/h4-11,14,19-21,24,27-28H,12-13H2,1-3H3,(H,25,30)(H,26,29)(H2,31,32,33)/t19-,20?,21-/m0/s1
InChIKeyAFAFFSSNAUKMNO-YSTUSHMSSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (6094415)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
I5B2 (CHEBI:222779) is a dipeptide (CHEBI:46761)
IUPAC Name 
[2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
Manual XrefsDatabases
111338ChemSpider