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L-isoleucine-(+)-7-isojasmonate

PropertiesImage
MNX_IDMNXM9351 Image of MNXM9351
referencechebi:136180
formulaC18H28NO4
global charge-1
mol weight322.425
InChIKeyIBZYPBGPOGJMBF-QPERPISQSA-M
InChIInChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/p-1/b7-6-/t12-,13+,14-,17-/m0/s1
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC
MNX internals
InChI (mnx)InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14-,17-/m0/s1 Image of MNXM9351
SMILES (mnx)[CH3:1][CH2:4]/[CH:6]=[CH:7]\[CH2:8][C@H:14]1[C@@H:13]([CH2:11][C:16](=[N:19][C@@H:17]([C@@H:12]([CH3:3])[CH2:5][CH3:2])[C:18](=[O:22])[OH:23])[OH:21])[CH2:9][CH2:10][C:15]1=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136180
chebi:136180
IBZYPBGPOGJMBF-QPERPISQSA-M 		L-isoleucine-(+)-7-isojasmonate
(+)-7-epi-jasmonoyl-L-isoleucinate
(+)-7-isojasmonic acid-L-isoleucinate conjugate
(+)-7-isojasmonyl-L-isoleucinate
(2S,3S)-3-methyl-2-(2-{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoate
N-({(R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucinate
N-[(+)-7-isojasmonyl]-L-isoleucinate
N-[(+)-7-isojasmonyl]isoleucinate

metacyc.compound:CPD-11259
metacycM:CPD-11259
IBZYPBGPOGJMBF-QPERPISQSA-M 		(+)-7-epi-jasmonoyl-L-isoleucine
(+)-7-iso-JA-L-Ile
(+)-7-iso-jasmonate-L-isoleucine
(+)-7-iso-jasmonic acid-L-isoleucine
(+)-7-iso-jasmonic acid-L-isoleucine conjugate
(+)-7-iso-jasmonoyl-L-isoleucine
(+)-7-iso-jasmonyl-L-isoleucine
(3R,7S)-JA-L-Ile
N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine

seed.compound:cpd22920
seedM:cpd22920
IBZYPBGPOGJMBF-QPERPISQSA-M 		(+)-7-iso-JA-L-Ile
(+)-7-epi-jasmonoyl-L-isoleucine
(+)-7-iso-jasmonate-L-isoleucine
(+)-7-iso-jasmonic acid-L-isoleucine
(+)-7-iso-jasmonic acid-L-isoleucine conjugate
(+)-7-iso-jasmonoyl-L-isoleucine
(+)-7-iso-jasmonyl-L-isoleucine
(3R,7S)-JA-L-Ile
N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine

SLM:000597951
slm:000597951
IBZYPBGPOGJMBF-QPERPISQSA-M 		L-isoleucine-( )-7-isojasmonate

CHEBI:137043
chebi:137043
IBZYPBGPOGJMBF-QPERPISQSA-N 		N-[(+)-7-isojasmonyl]-L-isoleucine
(+)-7-iso-JA-Ile
(+)-7-iso-JA-L-Ile
(+)-7-isojasmonic acid-L-isoleucine conjugate
(+)-7-isojasmonyl-L-isoleucine
(2S,3S)-3-methyl-2-(2-{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoic acid
(3R,7S)-JA-L-Ile
N-({(R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine
N-[(+)-7-isojasmonyl]isoleucine
iso-JA-Ile

seedM:M_cpd22920 		secondary/obsolete/fantasy identifier