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N-Jasmonoylisoleucine

MNXM9362 is deprecated and here replaced by MNXM1370398
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370398 Image of MNXM1370398
referencechebi:174355
formulaC18H29NO4
global charge0
mol weight323.433
InChIKeyIBZYPBGPOGJMBF-VOTSOKGWSA-N
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)/b7-6+
SMILESCC/C=C/CC1C(=O)CCC1CC(=O)NC(C(=O)O)C(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? Image of MNXM1370398
SMILES (mnx)[CH3:1][CH2:4]/[CH:6]=[CH:7]/[CH2:8][CH:14]1[CH:13]([CH2:11][C:16](=[N:19][CH:17]([CH: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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174355
chebi:174355
IBZYPBGPOGJMBF-VOTSOKGWSA-N 		N-Jasmonoylisoleucine
3-methyl-2-[[2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid