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1,4-dihydroxy-2-naphthoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1091615

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

formula

C₃₂H₃₈N₇O₁₉P₃S

charge

-4

mass

949.1178

reference

chebi:58897

InChIKey

PYTINLGPKDJURZ-HSJNEKGZSA-J

InChI

InChI=1S/C32H42N7O19P3S/c1-32(2,26(44)29(45)35-8-7-21(41)34-9-10-62-31(46)18-11-19(40)16-5-3-4-6-17(16)23(18)42)13-55-61(52,53)58-60(50,51)54-12-20-25(57-59(47,48)49)24(43)30(56-20)39-15-38-22-27(33)36-14-37-28(22)39/h3-6,11,14-15,20,24-26,30,40,42-44H,7-10,12-13H2,1-2H3,(H,34,41)(H,35,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-4/t20-,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)c1cc(O)c2ccccc2c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58897 chebi:58897	1,4-dihydroxy-2-naphthoyl-CoA 1,4-dihydroxy-2-naphthoyl-CoA tetraanion 1,4-dihydroxy-2-naphthoyl-CoA(4-) 1,4-dihydroxy-2-naphthoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(1,4-dihydroxy-2-naphthoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl]diphosphate}
bigg.metabolite:14dh2napcoa biggM:14dh2napcoa bigg.metabolite:dhncoa biggM:dhncoa kegg.compound:C15547 keggC:C15547	1,4-Dihydroxy-2-naphthoyl-CoA
seed.compound:cpd11217 seedM:cpd11217	1,4-Dihydroxy-2-naphthoyl-CoA 1,4-dihydroxy-2-naphthoate-CoA 1,4-dihydroxy-2-naphthoyl-CoA DHNA-CoA
CHEBI:52668 chebi:52668	1,4-dihydroxy-2-naphthoyl-CoA 1,4-Dihydroxy-2-naphthoyl-CoA 1,4-dihydroxy-2-naphthoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(1,4-dihydroxy-2-naphthoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} DHNA-CoA
metacyc.compound:CPD-9925 metacycM:CPD-9925	1,4-dihydroxy-2-naphthoyl-CoA 1,4-dihydroxy-2-naphthoate-CoA DHNA-CoA
bigg.metabolite:14dhncoa biggM:14dhncoa	1,4-dihydroxy-2-napthoyl-CoA
biggM:M_14dh2napcoa biggM:M_14dhncoa biggM:M_dhncoa keggC:M_C15547 seedM:M_cpd11217	secondary/obsolete/fantasy identifier