CHEBI:35304 - (2S,3R)-3-geranyl-2,3-dihydro-2,Nα-cyclo-L-tryptophan

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ChEBI Name (2S,3R)-3-geranyl-2,3-dihydro-2,Nα-cyclo-L-tryptophan
ChEBI ID CHEBI:35304
ChEBI ASCII Name (2S,3R)-3-geranyl-2,3-dihydro-2,N(alpha)-cyclo-L-tryptophan
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28N2O2
Net Charge 0
Average Mass 340.45930
Monoisotopic Mass 340.21508
InChI InChI=1S/C21H28N2O2/c1-14(2)7-6-8-15(3)11-12-21-13-18(19(24)25)23-20(21)22-17-10-5-4-9-16(17)21/h4-5,7,9-11,18,20,22-23H,6,8,12-13H2,1-3H3,(H,24,25)/b15-11+/t18-,20+,21+/m0/s1
InChIKey RHTZDVPVGDDBTM-SQSKXRONSA-N
SMILES [H][C@@]12N[C@@H](C[C@]1(C\C=C(/C)CCC=C(C)C)c1ccccc1N2)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (2S,3R)-3-geranyl-2,3-dihydro-2,Nα-cyclo-L-tryptophan (CHEBI:35304) is a monocarboxylic acid (CHEBI:25384)
Incoming (2S,3R)-3-geranyl-2,3-dihydro-2,Nα-cyclo-L-tryptophan residue (CHEBI:141127) is substituent group from (2S,3R)-3-geranyl-2,3-dihydro-2,Nα-cyclo-L-tryptophan (CHEBI:35304)
IUPAC Name
(2S,3aR,8aS)-3a-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole-2-carboxylic acid
Synonym Source
3'-geranyl-2',3'-dihydro-2',N2-cyclo-L-tryptophan RESID
Manual Xref Database
AA0408 RESID
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Last Modified
04 July 2018