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CHEBI:216162 - Burrioplantin A

ChEBI IDCHEBI:216162
ChEBI NameBurrioplantin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H72N8O14
Net Charge0
Average Mass1021.179
Monoisotopic Mass1020.51680
SMILESC/C=C(\NC(=O)CC(O)CCCCCCC)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCO)C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C51H72N8O14/c1-4-6-7-8-12-17-35(63)29-42(64)53-36(5-2)49(70)58-25-13-19-41(58)47(68)56-39(30-61)45(66)52-31(3)44(65)57-43(33-20-22-34(62)23-21-33)48(69)55-38(28-32-15-10-9-11-16-32)50(71)59-26-14-18-40(59)46(67)54-37(24-27-60)51(72)73/h5,9-11,15-16,20-23,31,35,37-41,43,60-63H,4,6-8,12-14,17-19,24-30H2,1-3H3,(H,52,66)(H,53,64)(H,54,67)(H,55,69)(H,56,68)(H,57,65)(H,72,73)/b36-5-/t31-,35?,37-,38-,39+,40-,41+,43+/m0/s1
InChIKeyWZNGGBZVHLEGTR-HCHMFDBTSA-N
Species of MetaboliteComponentSourceComments
Burkholderia plantarii (ncbitaxon:41899) - PubMed (32808751)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Burrioplantin A (CHEBI:216162) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-4-hydroxy-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-3-hydroxy-2-[[(2R)-1-[(Z)-2-(3-hydroxydecanoylamino)but-2-enoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]butanoic acid