(Q27456735)

N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine (English)

19 October 2016

chemical formula

C₁₈H₂₉NO₄

1 reference

N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine (English)

19 October 2016

canonical SMILES

CCC=CCC1C(CCC1=O)CC(=O)NC(C(C)CC)C(=O)O

1 reference

N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine (English)

19 October 2016

isomeric SMILES

CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O

1 reference

(+)-7-iso-Jasmonoyl-L-isoleucine is the endogenous bioactive jasmonate

N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine (English)

19 October 2016

1 reference

Identifiers

InChI

InChI=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-/t12-,13+,14-,17-/m0/s1

1 reference

N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine (English)

19 October 2016

2 references

N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine (English)

CAS (formerly Chemical Abstracts Service)

19 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

145414-77-3

1 reference

stated in

25 January 2022

1 reference

N-({(1R,2S)-3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}acetyl)-L-isoleucine (English)

19 October 2016

2 references

N-[(3R,7S)-(+)-7-iso-Jasmonoyl]-(S)-isoleucine (English)

19 October 2016

ChEBI ID

137043

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=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-/t12-,13+,14-,17-/m0/s1

1 reference

1 reference

KNApSAcK ID

C00059969

2 references

based on heuristic

inferred from InChIKey

0 references

1 reference

3OGL (English)