EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210360 - Ncp-E1

ChEBI IDCHEBI:210360
ChEBI NameNcp-E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H52N8O9
Net Charge0
Average Mass776.892
Monoisotopic Mass776.38573
SMILESCCC(C)C1NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(Cc2ccc(O)cc2)N=CC(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(CO)NC1=O
InChIInChI=1S/C39H52N8O9/c1-3-23(2)34-38(55)45-30(22-48)39(56)47-17-7-10-31(47)37(54)43-26(18-24-8-5-4-6-9-24)20-41-29(19-25-11-13-27(49)14-12-25)35(52)42-21-33(51)44-28(36(53)46-34)15-16-32(40)50/h4-6,8-9,11-14,20,23,26,28-31,34,48-49H,3,7,10,15-19,21-22H2,1-2H3,(H2,40,50)(H,42,52)(H,43,54)(H,44,51)(H,45,55)(H,46,53)
InChIKeyHQOVNNILDNLNSB-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-E1 (CHEBI:210360) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[18-benzyl-6-butan-2-yl-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide