EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199015 - Versicotide C

ChEBI IDCHEBI:199015
ChEBI NameVersicotide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N6O6
Net Charge0
Average Mass550.616
Monoisotopic Mass550.25398
SMILESC[C@@H]1NC(=O)c2ccccc2NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C28H34N6O6/c1-15-27(39)33(5)17(3)23(35)32-22-14-10-8-12-20(22)26(38)30-16(2)28(40)34(6)18(4)24(36)31-21-13-9-7-11-19(21)25(37)29-15/h7-18H,1-6H3,(H,29,37)(H,30,38)(H,31,36)(H,32,35)/t15-,16-,17-,18-/m0/s1
InChIKeyZMSUXAYRLPGMIN-XSLAGTTESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25246036)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Versicotide C (CHEBI:199015) is a dipeptide (CHEBI:46761)
IUPAC Name 
(4S,7S,18S,21S)-4,5,7,18,19,21-hexamethyl-2,5,8,16,19,22-hexazatricyclo[22.4.0.010,15]octacosa-1(28),10,12,14,24,26-hexaene-3,6,9,17,20,23-hexone
Manual XrefsDatabases
34981404ChemSpider