EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221481 - [Met6] Nodulapeptin C

ChEBI IDCHEBI:221481
ChEBI Name[Met6] Nodulapeptin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H65N7O9S2
Net Charge0
Average Mass900.178
Monoisotopic Mass899.42852
SMILESCCC(C)C(NC(=O)NC1CCCCNC(=O)C(CCSC)NC(=O)C(CCc2ccc(O)cc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(CCSC)NC1=O)C(=O)O
InChIInChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
InChIKeyUVYPXLQJIYVPPA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - PubMed (26729139)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[Met6] Nodulapeptin C (CHEBI:221481) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,12-bis(2-methylsulanylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid