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(+)-7-Isojasmonic acid CoA

MNXM164856 is deprecated and here replaced by MNXM731085
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM731085

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₃H₅₂N₇O₁₈P₃S

charge

mass

959.23024

reference

chebi:80460

InChIKey

WQKKCPPNDKSAIU-GEMOIUKOSA-N

InChI

InChI=1S/C33H52N7O18P3S/c1-4-5-6-7-20-19(8-9-21(20)41)14-24(43)62-13-12-35-23(42)10-11-36-31(46)28(45)33(2,3)16-55-61(52,53)58-60(50,51)54-15-22-27(57-59(47,48)49)26(44)32(56-22)40-18-39-25-29(34)37-17-38-30(25)40/h5-6,17-20,22,26-28,32,44-45H,4,7-16H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/b6-5-/t19-,20+,22-,26-,27-,28?,32-/m1/s1

SMILES

CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80460 chebi:80460	(+)-7-Isojasmonic acid CoA