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2-naphthoyl-CoA

MNXM6741 is deprecated and here replaced by MNXM739358
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM739358

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

formula

C₃₂H₄₂N₇O₁₇P₃S

charge

mass

921.15707

reference

chebi:34300

InChIKey

DPWZDDZXXDPFNM-YGFBVEKBSA-N

InChI

InChI=1S/C32H42N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h3-8,13,16-17,21,24-26,30,41-42H,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,24-,25-,26+,30-/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)c1ccc2ccccc2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34300 chebi:34300	2-naphthoyl-CoA 2-Naphthoyl-CoA 2-naphthoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(naphthalen-2-ylcarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
kegg.compound:C14120 keggC:C14120	2-Naphthoyl-CoA
seed.compound:cpd09823 seedM:cpd09823	2-Naphthoyl-CoA 2-naphthoayl-coenzyme A 2-naphthoyl-CoA
metacyc.compound:CPD-15896 metacycM:CPD-15896	2-naphthoyl-CoA 2-naphthoayl-coenzyme A
keggC:M_C14120 seedM:M_cpd09823	secondary/obsolete/fantasy identifier