CHEBI:220927 - Putisolvin III

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Putisolvin III
ChEBI ID CHEBI:220927
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C65H113N13O19
Net Charge 0
Average Mass 1380.691
Monoisotopic Mass 1379.82757
InChI InChI=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)
InChIKey QXPFOHYRVFSISX-UHFFFAOYSA-N
SMILES O=C1OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)CCC(=O)N)CO)C(C)C)CC(C)C)C(=O)NC(CC(C)C)C(NC(C(NC1CO)=O)C(C)C)=O
Metabolite of Species Details
Pseudomonas (NCBI:txid286) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Putisolvin III (CHEBI:220927) is a cyclodepsipeptide (CHEBI:35213)