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CHEBI:215680 - Terpenibactin A

ChEBI IDCHEBI:215680
ChEBI NameTerpenibactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H69N5O10
Net Charge0
Average Mass816.050
Monoisotopic Mass815.50444
SMILESCCCCCCCCCCCCCCCC(OC(=O)[C@H](CCCCN(O)C=O)NC(=O)[C@H]1N=C(c2ccccc2O)O[C@@H]1C)C(C)C(=O)N[C@@H]1CCCCN(O)C1=O
InChIInChI=1S/C43H69N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27-37(31(2)39(51)44-34-24-20-22-29-48(56)42(34)53)58-43(54)35(25-19-21-28-47(55)30-49)45-40(52)38-32(3)57-41(46-38)33-23-17-18-26-36(33)50/h17-18,23,26,30-32,34-35,37-38,50,55-56H,4-16,19-22,24-25,27-29H2,1-3H3,(H,44,51)(H,45,52)/t31?,32-,34-,35+,37?,38+/m1/s1
InChIKeyCKICSSGVOUYIAL-HEITYGFHSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (32196864)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Terpenibactin A (CHEBI:215680) is a depsipeptide (CHEBI:23643)
IUPAC Name 
[1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxooctadecan-3-yl] (2S)-6-[ormyl(hydroxy)amino]-2-[[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate