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CHEBI:185013 - 3-(Butan-2-yl)-5,11,14-trihydroxy-9-(1-hydroxyethyl)-12-methyl-6,15-bis(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclopentadeca-4,10,13-triene-2,8-dione

ChEBI IDCHEBI:185013
ChEBI Name3-(Butan-2-yl)-5,11,14-trihydroxy-9-(1-hydroxyethyl)-12-methyl-6,15-bis(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclopentadeca-4,10,13-triene-2,8-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H39N3O8
Net Charge0
Average Mass485.578
Monoisotopic Mass485.27372
SMILESCCC(C)C1NC(=O)C(C(C)C)OC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(C(C)C)OC1=O
InChIInChI=1S/C23H39N3O8/c1-9-12(6)15-22(31)33-17(10(2)3)20(29)24-13(7)19(28)26-16(14(8)27)23(32)34-18(11(4)5)21(30)25-15/h10-18,27H,9H2,1-8H3,(H,24,29)(H,25,30)(H,26,28)
InChIKeyZZZCVVSDKFDQJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(Butan-2-yl)-5,11,14-trihydroxy-9-(1-hydroxyethyl)-12-methyl-6,15-bis(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclopentadeca-4,10,13-triene-2,8-dione (CHEBI:185013) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-butan-2-yl-9-(1-hydroxyethyl)-12-methyl-6,15-di(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclopentadecane-2,5,8,11,14-pentone
Manual XrefsDatabases
HMDB0041421HMDB
35015180ChemSpider