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CHEBI:220921 - Putisolvin IV

ChEBI IDCHEBI:220921
ChEBI NamePutisolvin IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC66H115N13O19
Net Charge0
Average Mass1394.718
Monoisotopic Mass1393.84322
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)CC)NC(=O)C(CC(C)C)NC1=O)C(C)C
InChIInChI=1S/C66H115N13O19/c1-16-18-19-20-51(83)68-42(25-33(3)4)57(88)70-41(22-24-52(84)85)55(86)71-44(27-35(7)8)59(90)72-43(26-34(5)6)58(89)69-40(21-23-50(67)82)56(87)75-47(30-80)62(93)78-53(38(13)14)64(95)74-45(28-36(9)10)60(91)77-49-32-98-66(97)48(31-81)76-65(96)54(39(15)17-2)79-61(92)46(29-37(11)12)73-63(49)94/h33-49,53-54,80-81H,16-32H2,1-15H3,(H2,67,82)(H,68,83)(H,69,89)(H,70,88)(H,71,86)(H,72,90)(H,73,94)(H,74,95)(H,75,87)(H,76,96)(H,77,91)(H,78,93)(H,79,92)(H,84,85)
InChIKeyFNLYNITZGTYZMG-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 IV (CHEBI:220921) is a cyclodepsipeptide (CHEBI:35213)