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CHEBI:219081 - Barnesin A

ChEBI IDCHEBI:219081
ChEBI NameBarnesin A
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SubmitterMetaboLights
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FormulaC25H37N5O5
Net Charge0
Average Mass487.601
Monoisotopic Mass487.27947
SMILESCCCCC/C=C/C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](/C=C/C(=O)O)CCCN=C(N)N
InChIInChI=1S/C25H37N5O5/c1-2-3-4-5-6-9-22(32)30-21(17-18-10-13-20(31)14-11-18)24(35)29-19(12-15-23(33)34)8-7-16-28-25(26)27/h6,9-15,19,21,31H,2-5,7-8,16-17H2,1H3,(H,29,35)(H,30,32)(H,33,34)(H4,26,27,28)/b9-6+,15-12+/t19-,21-/m0/s1
InChIKeyANGGSYAIWRWBFA-VLQSCMNASA-N
Species of MetaboliteComponentSourceComments
Sulfurospirillum barnesii (ncbitaxon:44674) - PubMed (29901979)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
Barnesin A (CHEBI:219081) is a amphetamines (CHEBI:35338)
IUPAC Name 
(E,4S)-7-(diaminomethylideneamino)-4-[[(2S)-3-(4-hydroxyphenyl)-2-[[(E)-oct-2-enoyl]amino]propanoyl]amino]hept-2-enoic acid