EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202397 - TMC-171A

ChEBI IDCHEBI:202397
ChEBI NameTMC-171A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H72O15
Net Charge0
Average Mass805.012
Monoisotopic Mass804.48712
SMILESCC[C@H](C)C[C@H](C)/C=C(\C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)C(=O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO
InChIInChI=1S/C41H72O15/c1-11-20(2)12-21(3)13-26(8)38(56-41-37(52)36(51)35(50)31(19-44)54-41)27(9)15-24(6)32(47)22(4)14-23(5)33(48)25(7)16-28(10)40(53)55-39(30(46)18-43)34(49)29(45)17-42/h13-16,20-22,25,27,29-39,41-52H,11-12,17-19H2,1-10H3/b23-14+,24-15+,26-13+,28-16+/t20-,21-,22-,25-,27-,29+,30+,31+,32-,33+,34+,35+,36-,37-,38+,39+,41-/m0/s1
InChIKeyZDTPAUDBSLWUGF-CYGHGRBGSA-N
Species of MetaboliteComponentSourceComments
Gliocladium (ncbitaxon:62887) - PubMed (10695675)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
ChEBI Ontology
Outgoing Relation(s)
TMC-171A (CHEBI:202397) is a endocannabinoid (CHEBI:67197)
IUPAC Name 
[(2R,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] (2E,4S,5S,6E,8S,9S,10E,12S,13S,14E,16S,18S)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-2,6,10,14-tetraenoate
Manual XrefsDatabases
8732708ChemSpider