EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222336 - Microginin 598

ChEBI IDCHEBI:222336
ChEBI NameMicroginin 598
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43ClN4O8
Net Charge0
Average Mass599.125
Monoisotopic Mass598.27694
SMILESCC(O)C(NC(=O)C(O)C(N)CCCCCCCCl)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C28H43ClN4O8/c1-17(34)23(32-26(38)24(36)20(30)8-5-3-2-4-6-14-29)27(39)33-15-7-9-22(33)25(37)31-21(28(40)41)16-18-10-12-19(35)13-11-18/h10-13,17,20-24,34-36H,2-9,14-16,30H2,1H3,(H,31,37)(H,32,38)(H,40,41)
InChIKeyNXGFQTNWNWRMQX-UHFFFAOYSA-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)
Microginin 598 (CHEBI:222336) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid