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CHEBI:227036 - Penicimutalide C/D

ChEBI IDCHEBI:227036
ChEBI NamePenicimutalide C/D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H51N5O7
Net Charge0
Average Mass557.733
Monoisotopic Mass557.37885
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)OC
InChIInChI=1S/C27H51N5O7/c1-5-6-7-8-9-10-11-12-19(33)16-24(36)30-21(17-23(29)35)27(38)31-20(13-14-22(28)34)26(37)32-25(39-4)15-18(2)3/h18-21,25,33H,5-17H2,1-4H3,(H2,28,34)(H2,29,35)(H,30,36)(H,31,38)(H,32,37)/t19-,20+,21+,25?/m1/s1
InChIKeyWNEPILJZRNDMQZ-KFKSNXDDSA-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 C/D (CHEBI:227036) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxydodecanoyl]amino]-4-oxobutanoyl]amino]-N-(1-methoxy-3-methylbutyl)pentanediamide
Manual XrefsDatabases
32674978ChemSpider