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CHEBI:180633 - Nummularine B

ChEBI IDCHEBI:180633
ChEBI NameNummularine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41N5O6
Net Charge0
Average Mass591.709
Monoisotopic Mass591.30568
SMILESCNC(C)C(=O)NC(C(=O)N1CCC2Oc3ccc(OC)c(c3)/C=C/NC(=O)C(Cc3ccccc3)NC(=O)C21)C(C)C
InChIInChI=1S/C32H41N5O6/c1-19(2)27(36-29(38)20(3)33-4)32(41)37-16-14-26-28(37)31(40)35-24(17-21-9-7-6-8-10-21)30(39)34-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18-20,24,26-28,33H,14,16-17H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/b15-13+
InChIKeyZAVCUVYFGQXSRX-FYWRMAATSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nummularine B (CHEBI:180633) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[1-[(13E)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
Manual XrefsDatabases
HMDB0029334HMDB
35032852ChemSpider