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CHEBI:175769 - Ceanothine D

Default Structure
ChEBI IDCHEBI:175769
ChEBI NameCeanothine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40N4O4
Net Charge0
Average Mass484.641
Monoisotopic Mass484.30496
SMILESCCC(C)C1Oc2ccc(cc2)/C=C\NC(=O)C(CC(C)C)NC(=O)C1NC(=O)C1CCCN1C
InChIInChI=1S/C27H40N4O4/c1-6-18(4)24-23(30-26(33)22-8-7-15-31(22)5)27(34)29-21(16-17(2)3)25(32)28-14-13-19-9-11-20(35-24)12-10-19/h9-14,17-18,21-24H,6-8,15-16H2,1-5H3,(H,28,32)(H,29,34)(H,30,33)/b14-13-
InChIKeyHURFCPCPTXOVJN-YPKPFQOOSA-N
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 D (CHEBI:175769) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[(10Z)-3-butan-2-yl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-methylpyrrolidine-2-carboxamide
Manual XrefsDatabases
35032857ChemSpider
HMDB0029341HMDB