EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213565 - Pseudospumigin D

ChEBI IDCHEBI:213565
ChEBI NamePseudospumigin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44N6O6
Net Charge0
Average Mass596.729
Monoisotopic Mass596.33223
SMILESCC[C@@H](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/c1-3-20(2)27(30(43)35-23(19-38)10-7-17-34-31(32)33)37-28(41)25(16-13-21-8-5-4-6-9-21)36-29(42)26(40)18-22-11-14-24(39)15-12-22/h4-6,8-9,11-12,14-15,19-20,23,25-27,39-40H,3,7,10,13,16-18H2,1-2H3,(H,35,43)(H,36,42)(H,37,41)(H4,32,33,34)/t20-,23?,25?,26?,27-/m1/s1
InChIKeyWVQVWUCJRVUECI-VGXXBVAZSA-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 D (CHEBI:213565) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3R)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-phenylbutanoyl]amino]-3-methylpentanamide