EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215686 - Terpenibactin B

ChEBI IDCHEBI:215686
ChEBI NameTerpenibactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H71N5O10
Net Charge0
Average Mass842.088
Monoisotopic Mass841.52009
SMILESCCCCCCCCCCCCC/C=C\CCC(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/C45H71N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-39(33(2)41(53)46-36-26-22-24-31-50(58)44(36)55)60-45(56)37(27-21-23-30-49(57)32-51)47-42(54)40-34(3)59-43(48-40)35-25-19-20-28-38(35)52/h16-17,19-20,25,28,32-34,36-37,39-40,52,57-58H,4-15,18,21-24,26-27,29-31H2,1-3H3,(H,46,53)(H,47,54)/b17-16-/t33?,34-,36-,37+,39?,40+/m1/s1
InChIKeyGYDWJGNTAAWKAR-DAUQQIRWSA-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 B (CHEBI:215686) is a depsipeptide (CHEBI:23643)
IUPAC Name 
[(Z)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxoicos-6-en-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