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CHEBI:66963 - Δ9-tetrahydrocannabinolate

ChEBI IDCHEBI:66963
ChEBI NameΔ9-tetrahydrocannabinolate
Stars
ASCII NameDelta(9)-tetrahydrocannabinolate
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of Δ9-tetrahydrocannabinolic acid, obtained by deprotonation of the carboxy group.
Last Modified14 August 2012
SubmitterKAX
DownloadsMolfile
FormulaC22H29O4
Net Charge-1
Average Mass357.470
Monoisotopic Mass357.20713
SMILES[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)c(C(=O)[O-])c(O)c12
InChIInChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/p-1/t15-,16-/m1/s1
InChIKeyUCONUSSAWGCZMV-HZPDHXFCSA-M
ChEBI Ontology
Outgoing Relation(s)
Δ9-tetrahydrocannabinolate (CHEBI:66963) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
Δ9-tetrahydrocannabinolate (CHEBI:66963) is conjugate base of Δ9-tetrahydrocannabinolic acid (CHEBI:67078)
Incoming Relation(s)
Δ9-tetrahydrocannabinolic acid (CHEBI:67078) is conjugate acid of Δ9-tetrahydrocannabinolate (CHEBI:66963)
IUPAC Name 
(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylate
Synonyms  Source
Δ1-tetrahydrocannabinolateSUBMITTER
Δ9-THCASUBMITTER
UniProt Name  Source
Δ9-tetrahydrocannabinolateUniProt
Manual XrefsDatabases
CPD-7169MetaCyc
Citations