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CHEBI:209536 - Malpibaldin B

ChEBI IDCHEBI:209536
ChEBI NameMalpibaldin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52N6O5
Net Charge0
Average Mass624.827
Monoisotopic Mass624.39992
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C34H52N6O5/c1-18(2)13-25-30(41)37-27(15-20(5)6)33(44)40-29(21(7)8)34(45)39-26(14-19(3)4)31(42)38-28(32(43)36-25)16-22-17-35-24-12-10-9-11-23(22)24/h9-12,17-21,25-29,35H,13-16H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)(H,39,45)(H,40,44)/t25-,26+,27+,28-,29-/m1/s1
InChIKeyQEHZCKJTAZEKKB-JYJZCUDQSA-N
Species of MetaboliteComponentSourceComments
Mortierella alpina (ncbitaxon:64518) - PubMed (30789272)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Malpibaldin B (CHEBI:209536) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9R,12S,15R)-3-(1H-indol-3-ylmethyl)-6,12,15-tris(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone