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CHEBI:212419 - Burkholidine 1213

ChEBI IDCHEBI:212419
ChEBI NameBurkholidine 1213
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H83N11O22
Net Charge0
Average Mass1214.291
Monoisotopic Mass1213.57141
SMILESCCCCCCCCCCC[C@H](O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)C[C@@H]1CC(=O)NC(C)C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](O)C(N)=O)C(=O)N1
InChIInChI=1S/C52H83N11O22/c1-3-4-5-6-7-8-9-10-11-12-33(85-52-44(76)42(74)32(67)23-84-52)41(73)31(66)17-26-18-36(70)57-24(2)46(78)62-38(40(72)25-13-15-27(65)16-14-25)51(83)60-28(19-34(53)68)47(79)56-21-37(71)59-29(20-35(54)69)48(80)61-30(22-64)49(81)63-39(50(82)58-26)43(75)45(55)77/h13-16,24,26,28-33,38-44,52,64-67,72-76H,3-12,17-23H2,1-2H3,(H2,53,68)(H2,54,69)(H2,55,77)(H,56,79)(H,57,70)(H,58,82)(H,59,71)(H,60,83)(H,61,80)(H,62,78)(H,63,81)/t24?,26-,28-,29+,30+,31-,32-,33+,38-,39+,40-,41-,42+,43+,44-,52-/m1/s1
InChIKeyCKFPSWLWNVGXOH-IEYJUNIOSA-N
Species of MetaboliteComponentSourceComments
Burkholderia ambifaria (ncbitaxon:152480) - PubMed (22988812)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Burkholidine 1213 (CHEBI:212419) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[(3S,6S,9S,15R,18R,25R)-9,15-bis(2-amino-2-oxoethyl)-25-[(2R,3R,4S)-2,3-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-18-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-6-(hydroxymethyl)-21-methyl-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-3-yl]-2-hydroxyacetamide
Manual XrefsDatabases
78440366ChemSpider