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CHEBI:221049 - Variapeptin

ChEBI IDCHEBI:221049
ChEBI NameVariapeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H72N8O13
Net Charge0
Average Mass945.125
Monoisotopic Mass944.52188
SMILESCCC(C)CC1CCC(O)(C(C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)N(C)C(Cc3ccccc3)C(=O)N3NCCCC3C(=O)NC(CO)C(=O)OC2C(C)C)OC1C
InChIInChI=1S/C46H72N8O13/c1-9-27(4)23-31-19-20-46(64,67-29(31)6)45(7,63)44(62)50-36-37(26(2)3)66-43(61)32(25-55)49-38(56)33-17-13-21-47-52(33)40(58)35(24-30-15-11-10-12-16-30)51(8)39(57)28(5)54(65)41(59)34-18-14-22-48-53(34)42(36)60/h10-12,15-16,26-29,31-37,47-48,55,63-65H,9,13-14,17-25H2,1-8H3,(H,49,56)(H,50,62)
InChIKeyPBXKWAYVRNEWSB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces variabilis (ncbitaxon:67372) - PubMed (2358400)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Variapeptin (CHEBI:221049) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[3-benzyl-7-hydroxy-20-(hydroxymethyl)-4,6-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-hydroxy-2-[2-hydroxy-6-methyl-5-(2-methylbutyl)oxan-2-yl]propanamide
Manual XrefsDatabases
2339289ChemSpider