EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202207 - Leucocin B-TA33a

ChEBI IDCHEBI:202207
ChEBI NameLeucocin B-TA33a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H77N15O12
Net Charge0
Average Mass1152.325
Monoisotopic Mass1151.58761
SMILESCC(NC(=O)C(Cc1cnc2ccccc12)NC(=O)C(CO)NC(=O)C(Cc1cnc2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(N)CCCCN)C(=O)NC(CO)C(N)=O
InChIInChI=1S/C56H77N15O12/c1-32(50(77)70-45(30-72)49(60)76)65-53(80)43(24-34-26-61-39-18-7-5-15-36(34)39)69-56(83)46(31-73)71-55(82)44(25-35-27-62-40-19-8-6-16-37(35)40)68-54(81)42(23-33-13-3-2-4-14-33)67-48(75)29-64-52(79)41(20-10-12-22-58)66-47(74)28-63-51(78)38(59)17-9-11-21-57/h2-8,13-16,18-19,26-27,32,38,41-46,61-62,72-73H,9-12,17,20-25,28-31,57-59H2,1H3,(H2,60,76)(H,63,78)(H,64,79)(H,65,80)(H,66,74)(H,67,75)(H,68,81)(H,69,83)(H,70,77)(H,71,82)
InChIKeyKPYOPVCYIZYXBD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leuconostoc mesenteroides (ncbitaxon:1245) - PubMed (9611809)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Leucocin B-TA33a (CHEBI:202207) is a polypeptide (CHEBI:15841)
IUPAC Name 
2,6-diamino-N-[2-[[6-amino-1-[[2-[[1-[[1-[[1-[[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]hexanamide
Manual XrefsDatabases
78444531ChemSpider