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

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

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ChEBI ID	CHEBI:35304
ChEBI Name	(2S,3R)-3-geranyl-2,3-dihydro-2,N^α-cyclo-L-tryptophan
Stars
ASCII Name	(2S,3R)-3-geranyl-2,3-dihydro-2,N(alpha)-cyclo-L-tryptophan
Last Modified	4 July 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C21H28N2O2
Net Charge	0
Average Mass	340.467
Monoisotopic Mass	340.21508
SMILES	[H][C@]12Nc3ccccc3[C@@]1(C/C=C(\C)CCC=C(C)C)C[C@@H](C(=O)O)N2
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

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(2S,3R)-3-geranyl-2,3-dihydro-2,N^α-cyclo-L-tryptophan (CHEBI:35304) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
	(2S,3R)-3-geranyl-2,3-dihydro-2,N^α-cyclo-L-tryptophan residue (CHEBI:141127) is substituent group from (2S,3R)-3-geranyl-2,3-dihydro-2,N^α-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 Xrefs	Databases
AA0408	RESID