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CHEBI:213560 - Pseudospumigin C

ChEBI IDCHEBI:213560
ChEBI NamePseudospumigin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N6O7
Net Charge0
Average Mass598.701
Monoisotopic Mass598.31150
SMILESCC(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/C30H42N6O7/c1-18(2)26(29(43)34-21(17-37)4-3-15-33-30(31)32)36-27(41)24(14-9-19-5-10-22(38)11-6-19)35-28(42)25(40)16-20-7-12-23(39)13-8-20/h5-8,10-13,17-18,21,24-26,38-40H,3-4,9,14-16H2,1-2H3,(H,34,43)(H,35,42)(H,36,41)(H4,31,32,33)/t21?,24-,25?,26+/m1/s1
InChIKeyZSCHPQBYWNYITD-RWLGUYTISA-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 C (CHEBI:213560) 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]-3-methylbutanamide