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CHEBI:219799 - Putisolvin II

ChEBI IDCHEBI:219799
ChEBI NamePutisolvin II
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(C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC1COC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC1=O)C(C)CC)C(C)C)C(C)CC
InChIInChI=1S/C65H113N13O19/c1-16-20-21-22-47(82)67-41(27-32(5)6)56(87)68-40(24-26-48(83)84)54(85)70-42(28-33(7)8)57(88)76-51(36(13)17-2)62(93)69-39(23-25-46(66)81)55(86)71-43(29-79)58(89)74-50(35(11)12)61(92)78-52(37(14)18-3)63(94)73-45-31-97-65(96)44(30-80)72-60(91)49(34(9)10)75-64(95)53(38(15)19-4)77-59(45)90/h32-45,49-53,79-80H,16-31H2,1-15H3,(H2,66,81)(H,67,82)(H,68,87)(H,69,93)(H,70,85)(H,71,86)(H,72,91)(H,73,94)(H,74,89)(H,75,95)(H,76,88)(H,77,90)(H,78,92)(H,83,84)
InChIKeyVIINNBFAPVQYLV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - DOI (10.1046/j.1365-2958.2003.03751.x)
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 II (CHEBI:219799) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[1-[[1-[[5-amino-1-[[1-[[1-[[1-[[9-butan-2-yl-3-(hydroxymethyl)-2,5,8,11-tetraoxo-6-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-(hexanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
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