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CHEBI:210468 - Versicotide B

ChEBI IDCHEBI:210468
ChEBI NameVersicotide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29N5O5
Net Charge0
Average Mass479.537
Monoisotopic Mass479.21687
SMILESC[C@@H]1NC(=O)c2ccccc2NC(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)c2ccccc2NC1=O
InChIInChI=1S/C25H29N5O5/c1-14-21(31)27-20-13-9-7-11-18(20)25(35)30(5)16(3)24(34)29(4)15(2)22(32)28-19-12-8-6-10-17(19)23(33)26-14/h6-16H,1-5H3,(H,26,33)(H,27,31)(H,28,32)/t14-,15-,16-/m0/s1
InChIKeyLBRVMRVQZVQIGN-JYJNAYRXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1002/hlca.201000408)
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 B (CHEBI:210468) is a dipeptide (CHEBI:46761)
IUPAC Name 
(4S,15S,18S)-4,15,16,18,19-pentamethyl-2,5,13,16,19-pentazatricyclo[19.4.0.07,12]pentacosa-1(25),7,9,11,21,23-hexaene-3,6,14,17,20-pentone
Manual XrefsDatabases
28185129ChemSpider