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CHEBI:171986 - Ceanothine C

ChEBI IDCHEBI:171986
ChEBI NameCeanothine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38N4O4
Net Charge0
Average Mass470.614
Monoisotopic Mass470.28931
SMILESCC(C)CC1NC(=O)C(NC(=O)C2CCCN2C)C(C(C)C)Oc2ccc(cc2)/C=C\NC1=O
InChIInChI=1S/C26H38N4O4/c1-16(2)15-20-24(31)27-13-12-18-8-10-19(11-9-18)34-23(17(3)4)22(26(33)28-20)29-25(32)21-7-6-14-30(21)5/h8-13,16-17,20-23H,6-7,14-15H2,1-5H3,(H,27,31)(H,28,33)(H,29,32)/b13-12-
InChIKeyVAPUILOXKWGXSJ-SEYXRHQNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ceanothine C (CHEBI:171986) is a oligopeptide (CHEBI:25676)
IUPAC Name 
1-methyl-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
HMDB0029340HMDB
35032856ChemSpider