EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184327 - {[3-(2-methyl-1,3-thiazol-4-yl)-2-[(16R)-5,7,11-trihydroxy-8,8,10,12,16-pentamethyl-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-3-yl]prop-2-en-1-yl]oxy}sulfonic acid

ChEBI IDCHEBI:184327
ChEBI Name{[3-(2-methyl-1,3-thiazol-4-yl)-2-[(16R)-5,7,11-trihydroxy-8,8,10,12,16-pentamethyl-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-3-yl]prop-2-en-1-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42N2O9S2
Net Charge0
Average Mass602.772
Monoisotopic Mass602.23317
SMILESCc1nc(/C=C(\COS(=O)(=O)O)C2CC3O[C@]3(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)N2)cs1
InChIInChI=1S/C27H42N2O9S2/c1-15-8-7-9-27(6)22(38-27)11-20(18(13-37-40(34,35)36)10-19-14-39-17(3)28-19)29-23(31)12-21(30)26(4,5)25(33)16(2)24(15)32/h10,14-16,20-22,24,30,32H,7-9,11-13H2,1-6H3,(H,29,31)(H,34,35,36)/b18-10+/t15?,16?,20?,21?,22?,24?,27-/m1/s1
InChIKeyHZBOCEAYFMQUMP-OQGCDRFKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
{[3-(2-methyl-1,3-thiazol-4-yl)-2-[(16R)-5,7,11-trihydroxy-8,8,10,12,16-pentamethyl-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-3-yl]prop-2-en-1-yl]oxy}sulfonic acid (CHEBI:184327) is a thiazoles (CHEBI:48901)
IUPAC Name 
[(Z)-2-[(16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enyl] hydrogen sulate