EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172833 - Glabrin C

Default Structure
ChEBI IDCHEBI:172833
ChEBI NameGlabrin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H64N8O9
Net Charge0
Average Mass813.010
Monoisotopic Mass812.47963
SMILES[H][C@@]12CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC2=O
InChIInChI=1S/C41H64N8O9/c1-21(2)17-28-36(53)43-25(9)35(52)45-29(18-22(3)4)37(54)48-34(24(7)8)41(58)49-16-10-11-31(49)39(56)42-20-32(51)44-30(19-26-12-14-27(50)15-13-26)38(55)47-33(23(5)6)40(57)46-28/h12-15,21-25,28-31,33-34,50H,10-11,16-20H2,1-9H3,(H,42,56)(H,43,53)(H,44,51)(H,45,52)(H,46,57)(H,47,55)(H,48,54)/t25-,28-,29-,30-,31-,33-,34-/m0/s1
InChIKeyDDWIRDHTZAQZIO-OXJYUAFTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Glabrin C (CHEBI:172833) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,9S,12S,15S,18S,24S)-18-[(4-hydroxyphenyl)methyl]-9-methyl-6,12-bis(2-methylpropyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone