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CHEBI:222134 - Thanafactin A

ChEBI IDCHEBI:222134
ChEBI NameThanafactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H75N9O13
Net Charge0
Average Mass926.123
Monoisotopic Mass925.54843
SMILESCCCCCCC[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C
InChIInChI=1S/C43H75N9O13/c1-10-11-12-13-14-16-28(54)21-32(56)49-33(22(2)3)40(61)46-24(6)36(57)48-29(18-19-31(44)55)38(59)45-25(7)37(58)50-34(23(4)5)41(62)47-26(8)42(63)52-20-15-17-30(52)39(60)51-35(27(9)53)43(64)65/h22-30,33-35,53-54H,10-21H2,1-9H3,(H2,44,55)(H,45,59)(H,46,61)(H,47,62)(H,48,57)(H,49,56)(H,50,58)(H,51,60)(H,64,65)/t24-,25+,26+,27-,28-,29-,30+,33-,34-,35+/m1/s1
InChIKeyBUCXZOKQHZOCIP-ZXGXPUDXSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (33382250)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thanafactin A (CHEBI:222134) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(3R)-3-hydroxydecanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid