EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204388 - Cycloaspeptide D

ChEBI IDCHEBI:204388
ChEBI NameCycloaspeptide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H41N5O6
Net Charge0
Average Mass627.742
Monoisotopic Mass627.30568
SMILESCC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O
InChIInChI=1S/C35H41N5O6/c1-21(2)30-35(46)40(5)28(20-24-15-17-25(41)18-16-24)32(43)37-27-14-10-9-13-26(27)31(42)36-22(3)34(45)39(4)29(33(44)38-30)19-23-11-7-6-8-12-23/h6-18,21-22,28-30,41H,19-20H2,1-5H3,(H,36,42)(H,37,43)(H,38,44)/t22-,28-,29-,30-/m0/s1
InChIKeyGXJXATAYZOLJHQ-BJPINVTDSA-N
Species of MetaboliteComponentSourceComments
Penicillium ribium (ncbitaxon:357993) - PubMed (15165155)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cycloaspeptide D (CHEBI:204388) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7S,10S,13S)-10-benzyl-4-[(4-hydroxyphenyl)methyl]-5,11,13-trimethyl-7-propan-2-yl-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone
Manual XrefsDatabases
9437152ChemSpider