EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221548 - Spumigin 582b

ChEBI IDCHEBI:221548
ChEBI NameSpumigin 582b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N6O6
Net Charge0
Average Mass582.702
Monoisotopic Mass582.31658
SMILESCC1CC(C(=O)NCCCCN=C(N)N)N(C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(O)cc2)C1
InChIInChI=1S/C30H42N6O6/c1-19-16-25(27(40)33-14-2-3-15-34-30(31)32)36(18-19)29(42)24(13-8-20-4-9-22(37)10-5-20)35-28(41)26(39)17-21-6-11-23(38)12-7-21/h4-7,9-12,19,24-26,37-39H,2-3,8,13-18H2,1H3,(H,33,40)(H,35,41)(H4,31,32,34)/t19?,24-,25?,26+/m0/s1
InChIKeyNLJRMAAFNUDGBC-LMOYGDGSSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - PubMed (27834904)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spumigin 582b (CHEBI:221548) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
N-[4-(diaminomethylideneamino)butyl]-1-[(2S)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide