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CHEBI:209081 - Imaqobactin

ChEBI IDCHEBI:209081
ChEBI NameImaqobactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H71N7O17
Net Charge0
Average Mass934.051
Monoisotopic Mass933.49064
SMILESCCCCCCCCCCCC(=O)N[C@@H](CCCN(O)C=O)[C@@H](O)[C@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCN(O)C(=O)CC(C)OC(=O)[C@H]([C@@H](O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC1=O
InChIInChI=1S/C41H71N7O17/c1-5-6-7-8-9-10-11-12-13-18-30(52)42-27(16-14-19-47(63)23-50)34(54)25(3)36(56)44-29(22-49)38(58)43-28-17-15-20-48(64)31(53)21-24(2)65-41(62)33(35(55)40(60)61)46-39(59)32(26(4)51)45-37(28)57/h23-29,32-35,49,51,54-55,63-64H,5-22H2,1-4H3,(H,42,52)(H,43,58)(H,44,56)(H,45,57)(H,46,59)(H,60,61)/t24?,25-,26+,27-,28+,29-,32-,33-,34-,35+/m0/s1
InChIKeyWZPRZQBNZCRJBK-JDQYVFBZSA-N
Species of MetaboliteComponentSourceComments
Variovorax (ncbitaxon:34072) - PubMed (29616814)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Imaqobactin (CHEBI:209081) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R)-2-[(3S,6S,9R)-9-[[(2S)-2-[[(2S,3S,4S)-4-(dodecanoylamino)-7-[ormyl(hydroxy)amino]-3-hydroxy-2-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-13-hydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-2,5,8,14-tetraoxo-1-oxa-4,7,13-triazacyclohexadec-3-yl]-2-hydroxyacetic acid
Manual XrefsDatabases
65323298ChemSpider