EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210385 - Ncp-E3

ChEBI IDCHEBI:210385
ChEBI NameNcp-E3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54N8O9
Net Charge0
Average Mass742.875
Monoisotopic Mass742.40138
SMILESCC(C)CC1C=NC(Cc2ccc(O)cc2)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)N2CC(C)CC2C(=O)N1
InChIInChI=1S/C36H54N8O9/c1-19(2)12-23-15-38-26(14-22-6-8-24(46)9-7-22)32(49)39-16-30(48)41-25(10-11-29(37)47)33(50)43-31(20(3)4)35(52)42-27(18-45)36(53)44-17-21(5)13-28(44)34(51)40-23/h6-9,15,19-21,23,25-28,31,45-46H,10-14,16-18H2,1-5H3,(H2,37,47)(H,39,49)(H,40,51)(H,41,48)(H,42,52)(H,43,50)
InChIKeyLIIVFSHVCGATJG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nostoc edaphicum CCNP1411 (ncbitaxon:1472755) - PubMed (32858999)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ncp-E3 (CHEBI:210385) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-18-(2-methylpropyl)-2,5,8,11,14,20-hexaoxo-6-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide