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(+)-7-epi-jasmonoyl-L-alanine

PropertiesImage
MNX_IDMNXM818385 Image of MNXM818385
referencemetacycM:CPD-19806
formulaC15H22NO4
global charge-1
mol weight280.344
InChIKeyGQOBLZKNJFFBSM-LNDCSFGSSA-M
InChIInChI=1S/C15H23NO4/c1-3-4-5-6-12-11(7-8-13(12)17)9-14(18)16-10(2)15(19)20/h4-5,10-12H,3,6-9H2,1-2H3,(H,16,18)(H,19,20)/p-1/b5-4-/t10-,11+,12-/m0/s1
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H23NO4/c1-3-4-5-6-12-11(7-8-13(12)17)9-14(18)16-10(2)15(19)20/h4-5,10-12H,3,6-9H2,1-2H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-/m0/s1 Image of MNXM818385
SMILES (mnx)[CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6][C@H:12]1[C@@H:11]([CH2:9][C:14](=[N:16][C@@H:10]([CH3:2])[C:15](=[O:19])[OH:20])[OH:18])[CH2:7][CH2:8][C:13]1=[O:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-19806
metacycM:CPD-19806
seed.compound:cpd35779
seedM:cpd35779
GQOBLZKNJFFBSM-LNDCSFGSSA-M 		(+)-7-epi-jasmonoyl-L-alanine
(+)-7-iso-JA-L-Ala
(+)-7-iso-jasmonate-L-alanine
(+)-7-iso-jasmonic acid-L-alanine
(+)-7-iso-jasmonic acid-L-alanine conjugate
(+)-7-iso-jasmonoyl-L-alanine
(+)-7-iso-jasmonyl-L-alanine
(3R,7S)-JA-L-Ala

metacyc.compound:Jasmonoyl-Alanines
metacycM:Jasmonoyl-Alanines
GQOBLZKNJFFBSM-TUUNCMNISA-M 		a jasmonoyl-L-alanine
a JA-Ala
a jasmonate-alanine
a jasmonic acid-alanine
a jasmonic acid-alanine conjugate
a jasmonyl-alanine

seedM:M_cpd35779 		secondary/obsolete/fantasy identifier