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L-lupinate

PropertiesImage
MNX_IDMNXM735494 Image of MNXM735494
referencechebi:58927
formulaC13H18N6O3
global charge0
mol weight306.326
InChIKeyLJJHXRRUVASJDX-WWQRDVDESA-N
InChIInChI=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
SMILESC/C(=C\CNC1=NC=NC2=C1N=CN2C[C@H]([NH3+])C(=O)[O-])CO
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM735494
SMILES (mnx)[CH3:1]/[C:8](=[CH:2]\[CH2:3][NH:15][C:11]1=[C:10]2[C:12](=[N:17][CH:6]=[N:16]1)[N:19]([CH2:4][C@@H:9]([C:13](=[O:21])[OH:22])[NH2:14])[CH:7]=[N:18]2)[CH2:5][OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58927
chebi:58927
LJJHXRRUVASJDX-WWQRDVDESA-N 		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
LJJHXRRUVASJDX-WWQRDVDESA-M 		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
LJJHXRRUVASJDX-WWQRDVDESA-N 		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

vmhM:lupnt
vmhmetabolite:lupnt
LJJHXRRUVASJDX-WWQRDVDESA-M 		Lupinate

seed.compound:cpd01070
seedM:cpd01070
LJJHXRRUVASJDX-WWQRDVDESA-N 		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
LJJHXRRUVASJDX-WWQRDVDESA-N 		lupinate

chebi:14535
chebi:25082
seedM:M_cpd01070
vmhM:M_lupnt 		secondary/obsolete/fantasy identifier