CHEBI:175769 - Ceanothine D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ceanothine D
ChEBI ID CHEBI:175769
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40N4O4
Net Charge 0
Average Mass 484.641
Monoisotopic Mass 484.30496
InChI InChI=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-
InChIKey HURFCPCPTXOVJN-YPKPFQOOSA-N
SMILES O1C(C(NC(=O)C2N(CCC2)C)C(=O)NC(CC(C)C)C(=O)NC=CC3=CC=C1C=C3)C(CC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
35032857 ChemSpider
HMDB0029341 HMDB
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