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CHEBI:226493 - Pseudotetratide A

ChEBI IDCHEBI:226493
ChEBI NamePseudotetratide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33N7O5S2
Net Charge0
Average Mass527.673
Monoisotopic Mass527.19846
SMILESCSCC[C@H](NC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(C)=O)n1)C(=O)O
InChIInChI=1S/C21H33N7O5S2/c1-12(29)25-13(5-3-8-24-21(22)23)19(31)28-9-4-6-16(28)18-27-15(11-35-18)17(30)26-14(20(32)33)7-10-34-2/h11,13-14,16H,3-10H2,1-2H3,(H,25,29)(H,26,30)(H,32,33)(H4,22,23,24)/t13-,14-,16-/m0/s1
InChIKeyAFLLGKMKWFZARJ-DZKIICNBSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas entomophila L48 (ncbitaxon:384676) - PubMed (31693786)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pseudotetratide A (CHEBI:226493) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-2-[[2-[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-4-methylsulanylbutanoic acid