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CHEBI:213554 - Pseudospumigin B

ChEBI IDCHEBI:213554
ChEBI NamePseudospumigin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44N6O7
Net Charge0
Average Mass612.728
Monoisotopic Mass612.32715
SMILESCC(C)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/c1-19(2)16-26(29(43)35-22(18-38)4-3-15-34-31(32)33)37-28(42)25(14-9-20-5-10-23(39)11-6-20)36-30(44)27(41)17-21-7-12-24(40)13-8-21/h5-8,10-13,18-19,22,25-27,39-41H,3-4,9,14-17H2,1-2H3,(H,35,43)(H,36,44)(H,37,42)(H4,32,33,34)/t22?,25-,26+,27?/m1/s1
InChIKeyNGBBDYSACOVTOR-UOIHDSSCSA-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 B (CHEBI:213554) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2R)-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanamide