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CHEBI:226906 - Amphi-enterobactin C12-OH

ChEBI IDCHEBI:226906
ChEBI NameAmphi-enterobactin C12-OH
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H54N4O19
Net Charge0
Average Mass954.936
Monoisotopic Mass954.33823
SMILESCCCCCCCCCC(O)CC(=O)NC1COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC1=O
InChIInChI=1S/C45H54N4O19/c1-2-3-4-5-6-7-8-12-24(50)19-35(54)46-28-20-65-43(62)30(48-40(59)26-14-10-17-33(52)37(26)56)22-67-45(64)31(49-41(60)27-15-11-18-34(53)38(27)57)23-68-44(63)29(21-66-42(28)61)47-39(58)25-13-9-16-32(51)36(25)55/h9-11,13-18,24,28-31,50-53,55-57H,2-8,12,19-23H2,1H3,(H,46,54)(H,47,58)(H,48,59)(H,49,60)
InChIKeyAFBSGQPOTIOCSW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vibrio (ncbitaxon:662) - PubMed (24701966)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Amphi-enterobactin C12-OH (CHEBI:226906) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[11,15-bis[(2,3-dihydroxybenzoyl)amino]-7-(3-hydroxydodecanoylamino)-2,6,10,14-tetraoxo-1,5,9,13-tetraoxacyclohexadec-3-yl]-2,3-dihydroxybenzamide
Manual XrefsDatabases
32674681ChemSpider