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(E)-3-(indol-3-yl)acryloyl-CoA

MNXM164845 is deprecated and replaced by MNXM1100382

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100382

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₂H₃₉N₈O₁₇P₃S

charge

-4

mass

932.13887

reference

chebi:143009

InChIKey

LQFMEOXXQRDBPP-BTOWARJYSA-J

InChI

InChI=1S/C32H43N8O17P3S/c1-32(2,27(44)30(45)35-10-9-22(41)34-11-12-61-23(42)8-7-18-13-36-20-6-4-3-5-19(18)20)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)40-17-39-24-28(33)37-16-38-29(24)40/h3-8,13,16-17,21,25-27,31,36,43-44H,9-12,14-15H2,1-2H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,37,38)(H2,46,47,48)/p-4/b8-7+/t21-,25-,26-,27+,31-/m1/s1

SMILES

CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1c[nH]c2ccccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:143009 chebi:143009	(E)-3-(indol-3-yl)acryloyl-CoA (E)-3-(indol-3-yl)acryloyl-CoA(4-)
kegg.compound:C22207 keggC:C22207	3-(Indol-3-yl)acryloyl-CoA
metacyc.compound:CPD-21497 metacycM:CPD-21497 seed.compound:cpd31402 seedM:cpd31402	3-(indol-3-yl)acryloyl-CoA
sabiork.compound:20759 sabiorkM:20759	Indoleacryloyl-CoA S-[3-(1H-Indole-3-yl)acryloyl]coenzyme A
keggC:M_C22207 seedM:M_cpd31402	secondary/obsolete/fantasy identifier