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CHEBI:220927 - Putisolvin III

ChEBI IDCHEBI:220927
ChEBI NamePutisolvin III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H113N13O19
Net Charge0
Average Mass1380.691
Monoisotopic Mass1379.82757
SMILESCCCCCC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC1COC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC1=O)C(C)C
InChIInChI=1S/C65H113N13O19/c1-16-17-18-19-50(82)67-41(24-32(2)3)56(87)69-40(21-23-51(83)84)54(85)70-43(26-34(6)7)58(89)71-42(25-33(4)5)57(88)68-39(20-22-49(66)81)55(86)74-46(29-79)61(92)78-52(37(12)13)63(94)73-44(27-35(8)9)59(90)76-48-31-97-65(96)47(30-80)75-64(95)53(38(14)15)77-60(91)45(28-36(10)11)72-62(48)93/h32-48,52-53,79-80H,16-31H2,1-15H3,(H2,66,81)(H,67,82)(H,68,88)(H,69,87)(H,70,85)(H,71,89)(H,72,93)(H,73,94)(H,74,86)(H,75,95)(H,76,90)(H,77,91)(H,78,92)(H,83,84)
InChIKeyQXPFOHYRVFSISX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (32524747)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Putisolvin III (CHEBI:220927) is a cyclodepsipeptide (CHEBI:35213)