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CHEBI:219792 - Putisolvin I

ChEBI IDCHEBI:219792
ChEBI NamePutisolvin I
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(CC(C)C)NC1=O)C(C)CC)C(C)C)C(C)CC
InChIInChI=1S/C65H113N13O19/c1-16-19-20-21-48(82)67-41(26-32(4)5)56(87)68-40(23-25-49(83)84)54(85)70-43(28-34(8)9)58(89)77-52(37(14)17-2)63(94)69-39(22-24-47(66)81)55(86)72-44(29-79)59(90)76-51(36(12)13)62(93)78-53(38(15)18-3)64(95)74-46-31-97-65(96)45(30-80)73-61(92)50(35(10)11)75-57(88)42(27-33(6)7)71-60(46)91/h32-46,50-53,79-80H,16-31H2,1-15H3,(H2,66,81)(H,67,82)(H,68,87)(H,69,94)(H,70,85)(H,71,91)(H,72,86)(H,73,92)(H,74,95)(H,75,88)(H,76,90)(H,77,89)(H,78,93)(H,83,84)
InChIKeyATBTWVUHMOVISW-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 I (CHEBI:219792) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[1-[[1-[[5-amino-1-[[3-hydroxy-1-[[1-[[1-[[3-(hydroxymethyl)-9-(2-methylpropyl)-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]-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
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