EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200465 - Brunsvicamide C

ChEBI IDCHEBI:200465
ChEBI NameBrunsvicamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H64N8O10
Net Charge0
Average Mass877.053
Monoisotopic Mass876.47454
SMILESCC[C@@H](C)[C@@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)c2ccccc2NC=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O)C(=O)O
InChIInChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
InChIKeyHQMATMGVGJKSPD-MMHNDARSSA-N
Species of MetaboliteComponentSourceComments
Tychonema (ncbitaxon:54312) - PubMed (16884299)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Brunsvicamide C (CHEBI:200465) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2R,3R)-2-[[(3S,6R,9S,12S,15S)-3-benzyl-6-[2-(2-ormamidophenyl)-2-oxoethyl]-7-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid