CHEBI:4854 - Eseramine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Eseramine
ChEBI ID CHEBI:4854
Stars This entity has been manually annotated by a third party.
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Formula C16H22N4O3
Net Charge 0
Average Mass 318.371
Monoisotopic Mass 318.16919
InChI InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)/t13-,16-/m0/s1
InChIKey PYEMNABYODPRPP-BBRMVZONSA-N
SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(CC[C@@]3(C)c2c1)C(=O)NC
ChEBI Ontology
Outgoing Eseramine (CHEBI:4854) is a pyrroloindole (CHEBI:48133)
Synonyms Sources
(3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide KEGG COMPOUND
Eseramine KEGG COMPOUND
Pyrrolo(2,3-b)indole-1(2H)-carboxamide, 3,3a,8,8a-tetrahydro-N,3a,8-trimethyl-5-(((methylamino)carbonyl)oxy)-, (3aS-cis)- KEGG COMPOUND
Manual Xrefs Databases
C00001725 KNApSAcK
C09170 KEGG COMPOUND
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Registry Number Type Source
6091-57-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014