CHEBI:202103 - TMC-151 A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TMC-151 A
ChEBI ID CHEBI:202103
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C41H74O15
Net Charge 0
Average Mass 807.028
Monoisotopic Mass 806.50277
InChI InChI=1S/C41H74O15/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/h14-16,20-22,25-27,29-39,41-52H,11-13,17-19H2,1-10H3/b23-14+,24-15+,28-16+/t20-,21-,22-,25-,26-,27-,29+,30+,31+,32-,33+,34+,35+,36-,37-,38+,39+,41-/m0/s1
InChIKey OKELHCCUNSKKJL-YXIIKYQLSA-N
SMILES O=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)[C@H](C[C@H](C[C@H](CC)C)C)C)C)/C)C)/C)C)/C
Metabolite of Species Details
Clonostachys rosea f. catenulata (NCBI:txid62888) See: DOI
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via endocannabinoid )
cannabinoid receptor agonist
An agonist that binds to and activates cannabinoid receptors.
(via cannabinoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing TMC-151 A (CHEBI:202103) 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,13R,14S,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-trienoate
Manual Xref Database
9978143 ChemSpider
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