EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223782 - Holrhizin H

ChEBI IDCHEBI:223782
ChEBI NameHolrhizin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34N2O4
Net Charge0
Average Mass390.524
Monoisotopic Mass390.25186
SMILESCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
InChIInChI=1S/C22H34N2O4/c1-4-5-6-7-11-14-19(25)24-20(16(2)3)21(26)23-18(22(27)28)15-17-12-9-8-10-13-17/h8-10,12-13,16,18,20H,4-7,11,14-15H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)/t18-,20-/m0/s1
InChIKeyRWHOYIGMJVFHBE-ICSRJNTNSA-N
Species of MetaboliteComponentSourceComments
Mycetohabitans rhizoxinica (ncbitaxon:412963) - PubMed (32031805)
ChEBI Ontology
Outgoing Relation(s)
Holrhizin H (CHEBI:223782) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]-3-phenylpropanoic acid