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CHEBI:213548 - Pseudospumigin A

ChEBI IDCHEBI:213548
ChEBI NamePseudospumigin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44N6O7
Net Charge0
Average Mass612.728
Monoisotopic Mass612.32715
SMILESCC[C@@H](C)[C@@H](NC(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)C(O)Cc1ccc(O)cc1)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25-,26?,27-/m1/s1
InChIKeyQACTZPSCGSGUNG-DRMIEUJZSA-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 A (CHEBI:213548) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3R)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2R)-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide