EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223788 - Holrhizin I

ChEBI IDCHEBI:223788
ChEBI NameHolrhizin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N2O4
Net Charge0
Average Mass362.470
Monoisotopic Mass362.22056
SMILESCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
InChIInChI=1S/C20H30N2O4/c1-4-5-7-12-17(23)22-18(14(2)3)19(24)21-16(20(25)26)13-15-10-8-6-9-11-15/h6,8-11,14,16,18H,4-5,7,12-13H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)/t16-,18-/m0/s1
InChIKeyAJCVVWOPACTCCN-WMZOPIPTSA-N
Species of MetaboliteComponentSourceComments
Mycetohabitans rhizoxinica (ncbitaxon:412963) - PubMed (32031805)
ChEBI Ontology
Outgoing Relation(s)
Holrhizin I (CHEBI:223788) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-phenylpropanoic acid