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CHEBI:172729 - Vignatic acid B

ChEBI IDCHEBI:172729
ChEBI NameVignatic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41N3O7
Net Charge0
Average Mass519.639
Monoisotopic Mass519.29445
SMILESCC(C)CC(O)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC(C(=O)O)Cc2ccc(cc2)OC1C(C)C
InChIInChI=1S/C27H41N3O7/c1-14(2)11-19-24(32)29-20(27(35)36)13-17-7-9-18(10-8-17)37-23(16(5)6)22(26(34)28-19)30-25(33)21(31)12-15(3)4/h7-10,14-16,19-23,31H,11-13H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)
InChIKeyOPWAZQSWJQLOAK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Vignatic acid B (CHEBI:172729) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
4-[(2-hydroxy-4-methylpentanoyl)amino]-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid
Manual XrefsDatabases
35013642ChemSpider
HMDB0033617HMDB