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L-lupinate

Properties

Image

Occurences in reactions

MNX_ID

MNXM735494

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₃H₁₈N₆O₃

charge

mass

306.14404

reference

InChIKey

LJJHXRRUVASJDX-WWQRDVDESA-N

InChI

InChI=1S/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)/b8-2+/t9-/m0/s1

SMILES

C/C(=C\CNc1ncnc2c1ncn2C[C@H]([NH3+])C(=O)[O-])CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58927 chebi:58927	L-lupinate (2S)-2-azaniumyl-3-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)propanoate L-lupinic acid zwitterion
CHEBI:15877 chebi:15877	L-lupinate (S)-2-amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoate 3-[N(6)-(4-hydroxyisopentenyl)adeninyl]-L-alaninate 3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-L-alaninate
CHEBI:6572 chebi:6572	L-lupinic acid (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid (S)-2-amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid 3-[N(6)-(4-hydroxyisopentenyl)adeninyl]-L-alanine 3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine 3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-L-alanine Lupinic acid
seed.compound:cpd01070 seedM:cpd01070	Lupinate (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9- yl}propanoic acid (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid 3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine Lupinic acid lupinate
metacyc.compound:CPD-669 metacycM:CPD-669	lupinate
chebi:14535 chebi:25082 seedM:M_cpd01070	secondary/obsolete/fantasy identifier