EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225859 - MBJ-0174

ChEBI IDCHEBI:225859
ChEBI NameMBJ-0174
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50N8O6
Net Charge0
Average Mass630.791
Monoisotopic Mass630.38533
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C31H50N8O6/c1-16(2)14-22-28(43)39-25(18(5)6)30(45)37-23(15-19-9-11-20(40)12-10-19)27(42)35-21(8-7-13-34-31(32)33)26(41)38-24(17(3)4)29(44)36-22/h9-12,16-18,21-25,40H,7-8,13-15H2,1-6H3,(H,35,42)(H,36,44)(H,37,45)(H,38,41)(H,39,43)(H4,32,33,34)/t21-,22+,23+,24-,25-/m1/s1
InChIKeyDOAPOAHOZVKNLQ-ZLOLNMDISA-N
Species of MetaboliteComponentSourceComments
Mortierella (ncbitaxon:4855) - PubMed (27624401)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
MBJ-0174 (CHEBI:225859) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[3-[(2R,5R,8S,11R,14S)-14-[(4-hydroxyphenyl)methyl]-8-(2-methylpropyl)-3,6,9,12,15-pentaoxo-5,11-di(propan-2-yl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
Manual XrefsDatabases
78441954ChemSpider