EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208529 - Hirsutellic acid A

ChEBI IDCHEBI:208529
ChEBI NameHirsutellic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N4O5
Net Charge0
Average Mass524.662
Monoisotopic Mass524.29987
SMILESCC[C@@H](C)[C@H](N)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C29H40N4O5/c1-6-19(4)25(30)28(36)33(5)24(17-20-12-8-7-9-13-20)27(35)32-23(16-18(2)3)26(34)31-22-15-11-10-14-21(22)29(37)38/h7-15,18-19,23-25H,6,16-17,30H2,1-5H3,(H,31,34)(H,32,35)(H,37,38)/t19-,23+,24-,25+/m1/s1
InChIKeyNBHDIKSJKKZUEO-MNVNNWCQSA-N
Species of MetaboliteComponentSourceComments
Hirsutella (ncbitaxon:42367) - PubMed (16643062)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hirsutellic acid A (CHEBI:208529) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]benzoic acid
Manual XrefsDatabases
9838385ChemSpider