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CHEBI:213577 - Pseudospumigin F

ChEBI IDCHEBI:213577
ChEBI NamePseudospumigin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N6O6
Net Charge0
Average Mass582.702
Monoisotopic Mass582.31658
SMILESCC(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/C30H42N6O6/c1-19(2)26(29(42)34-22(18-37)9-6-16-33-30(31)32)36-27(40)24(15-12-20-7-4-3-5-8-20)35-28(41)25(39)17-21-10-13-23(38)14-11-21/h3-5,7-8,10-11,13-14,18-19,22,24-26,38-39H,6,9,12,15-17H2,1-2H3,(H,34,42)(H,35,41)(H,36,40)(H4,31,32,33)/t22?,24?,25?,26-/m0/s1
InChIKeyZCYAPDWORPSULN-WSXXUSQGSA-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 F (CHEBI:213577) 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]-3-methylbutanamide