EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193935 - Phytosulfokine b

ChEBI IDCHEBI:193935
ChEBI NamePhytosulfokine b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N4O14S2
Net Charge0
Average Mass718.760
Monoisotopic Mass718.18259
SMILESCCC(C)C(NC(=O)C(N)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C28H38N4O14S2/c1-4-15(2)23(31-25(34)21(29)13-17-5-9-19(10-6-17)45-47(39,40)41)27(36)30-22(26(35)32-24(16(3)33)28(37)38)14-18-7-11-20(12-8-18)46-48(42,43)44/h5-12,15-16,21-24,33H,4,13-14,29H2,1-3H3,(H,30,36)(H,31,34)(H,32,35)(H,37,38)(H,39,40,41)(H,42,43,44)
InChIKeyGOHLMBHZKWPJQG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phytosulfokine b (CHEBI:193935) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[2-amino-3-(4-sulooxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-sulooxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
28583438ChemSpider
HMDB0029810HMDB