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CHEBI:202189 - Mabetaetolide F

ChEBI IDCHEBI:202189
ChEBI NameMabetaetolide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H95N9O16
Net Charge0
Average Mass1126.401
Monoisotopic Mass1125.68968
SMILESCCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC1C
InChIInChI=1S/C54H95N9O16/c1-13-14-15-16-17-18-34(66)25-42(67)55-36(21-28(2)3)47(71)56-35(19-20-43(68)69)46(70)63-45-33(12)79-54(78)39(24-31(8)9)59-51(75)41(27-65)61-48(72)37(22-29(4)5)57-50(74)40(26-64)60-49(73)38(23-30(6)7)58-52(76)44(32(10)11)62-53(45)77/h28-41,44-45,64-66H,13-27H2,1-12H3,(H,55,67)(H,56,71)(H,57,74)(H,58,76)(H,59,75)(H,60,73)(H,61,72)(H,62,77)(H,63,70)(H,68,69)/t33?,34-,35+,36-,37-,38-,39-,40+,41+,44+,45+/m0/s1
InChIKeyDSYOCLWRCTWQOY-KEARXTDGSA-N
Species of MetaboliteComponentSourceComments
Pseudomonasspecies (ncbitaxon:306) - PubMed (9157190)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mabetaetolide F (CHEBI:202189) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(4R)-5-[[(3S,6R,9S,12R,15S,18R,21R)-6,12-bis(hydroxymethyl)-22-methyl-3,9,15-tris(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3S)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
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