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delta2,5-3,4,4-Trimethylpimelyl-CoA

MNXM22522 is deprecated and here replaced by MNXM732740
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732740

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

formula

C₃₁H₄₇N₇O₁₉P₃S

charge

-1

mass

946.18658

reference

envipathM:...a7a01b8f0930

InChIKey

JKSPORUSQRTCNO-LSLGJYKGSA-M

InChI

InChI=1S/C31H48N7O19P3S/c1-17(12-20(40)41)30(2,3)8-6-21(42)61-11-10-33-19(39)7-9-34-28(45)25(44)31(4,5)14-54-60(51,52)57-59(49,50)53-13-18-24(56-58(46,47)48)23(43)29(55-18)38-16-37-22-26(32)35-15-36-27(22)38/h6,8,12,15-16,18,23-25,29,43-44H,7,9-11,13-14H2,1-5H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-1/b8-6+,17-12-

SMILES

C/C(=C/C(=O)[O-])C(C)(C)/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
envipath:...a7a01b8f0930 envipathM:...a7a01b8f0930	delta2,5-3,4,4-Trimethylpimelyl-CoA