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CHEBI:205162 - Pseudoaeruginosin KT554

ChEBI IDCHEBI:205162
ChEBI NamePseudoaeruginosin KT554
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N6O5
Net Charge0
Average Mass554.692
Monoisotopic Mass554.32167
SMILESCC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCN=C(N)N
InChIInChI=1S/C29H42N6O5/c1-19(2)16-23(35-28(40)25(37)18-21-10-12-22(36)13-11-21)27(39)34-24(17-20-8-4-3-5-9-20)26(38)32-14-6-7-15-33-29(30)31/h3-5,8-13,19,23-25,36-37H,6-7,14-18H2,1-2H3,(H,32,38)(H,34,39)(H,35,40)(H4,30,31,33)/t23-,24+,25-/m1/s1
InChIKeyQSELNASSFIOFMX-DSNGMDLFSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - PubMed (22280481)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudoaeruginosin KT554 (CHEBI:205162) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-N-[(2S)-1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanamide
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