EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208886 - Microginin 511

ChEBI IDCHEBI:208886
ChEBI NameMicroginin 511
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H41N3O6S
Net Charge0
Average Mass511.685
Monoisotopic Mass511.27161
SMILESCCCCCCC[C@H](N)[C@H](O)C(=O)N(C)[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C25H41N3O6S/c1-4-5-6-7-8-9-19(26)22(30)24(32)28(2)21(14-15-35-3)23(31)27-20(25(33)34)16-17-10-12-18(29)13-11-17/h10-13,19-22,29-30H,4-9,14-16,26H2,1-3H3,(H,27,31)(H,33,34)/t19-,20-,21-,22-/m0/s1
InChIKeyXYXASPCRONZBJP-CMOCDZPBSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (29405714)
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 511 (CHEBI:208886) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]-methylamino]-4-methylsulanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
78440675ChemSpider