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CHEBI:213569 - Pseudospumigin E

ChEBI IDCHEBI:213569
ChEBI NamePseudospumigin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44N6O6
Net Charge0
Average Mass596.729
Monoisotopic Mass596.33223
SMILESCC(C)C[C@H](NC(=O)C(CCc1ccccc1)NC(=O)C(O)Cc1ccc(O)cc1)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C31H44N6O6/c1-20(2)17-26(29(42)35-23(19-38)9-6-16-34-31(32)33)37-28(41)25(15-12-21-7-4-3-5-8-21)36-30(43)27(40)18-22-10-13-24(39)14-11-22/h3-5,7-8,10-11,13-14,19-20,23,25-27,39-40H,6,9,12,15-18H2,1-2H3,(H,35,42)(H,36,43)(H,37,41)(H4,32,33,34)/t23?,25?,26-,27?/m0/s1
InChIKeyCFKHCDRISBRUFQ-COKUGGSTSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies CENA543 (ncbitaxon:1869241) - PubMed (29062311)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudospumigin E (CHEBI:213569) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-phenylbutanoyl]amino]-4-methylpentanamide