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CHEBI:227033 - Penicimutalide A/B

ChEBI IDCHEBI:227033
ChEBI NamePenicimutalide A/B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H53N5O7
Net Charge0
Average Mass571.760
Monoisotopic Mass571.39450
SMILESCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CC(C)C)OCC
InChIInChI=1S/C28H53N5O7/c1-5-7-8-9-10-11-12-13-20(34)17-25(37)31-22(18-24(30)36)28(39)32-21(14-15-23(29)35)27(38)33-26(40-6-2)16-19(3)4/h19-22,26,34H,5-18H2,1-4H3,(H2,29,35)(H2,30,36)(H,31,37)(H,32,39)(H,33,38)/t20-,21+,22+,26?/m1/s1
InChIKeyMGCGEBGDRQJMKG-NWSVULJOSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (24686557)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Penicimutalide A/B (CHEBI:227033) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxydodecanoyl]amino]-4-oxobutanoyl]amino]-N-(1-ethoxy-3-methylbutyl)pentanediamide
Manual XrefsDatabases
32674977ChemSpider