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coenzyme F430

MNXM11143 is deprecated and here replaced by MNXM726722
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726722 Image of MNXM726722
referencechebi:60540
formulaC42H46N6NiO13
global charge-4
mol weight901.552
InChIKeyXLFIRMYGVLUNOY-SXMZNAGASA-H
InChIInChI=1S/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,18-23,25,27H,3-12,14-17H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q;+2/p-6/t18-,19-,20-,21-,22+,23+,25+,27-,40-,41-,42-;/m0./s1
SMILESC[C@@]12CC(=O)N[C@@]13C[C@H]1[C@@H](CCC(=O)[O-])[C@](C)(CC(N)=O)C4=[N+]1[Ni-2]15N6C(=CC(=[N+]31)[C@H]2CCC(=O)[O-])[C@@H](CC(=O)[O-])[C@H](CCC(=O)[O-])C6=C1C(=O)CC[C@@H]2C1=[N+]5[C@H](C4)[C@H]2CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,18-23,25,27H,3-12,14-17H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q;+2/t18-,19-,20-,21-,22+,23+,25+,27-,40-,41-,42-;/m0./s1 Image of MNXM726722
SMILES (mnx)[CH3:1][C@:40]1([CH2:16][C:30]([NH-:43])=[O:50])[C@H:22]([CH2:5][CH2:9][C:33](=[O:54])[OH:55])[C@@H:27]2[CH2:15][C@@:42]34[C@@:41]([CH3:2])([CH2:17][C:31]([OH:51])=[N:48]3)[C@H:23]([CH2:6][CH2:10][C:34](=[O:56])[OH:57])[C:26](=[N:47]4)[CH:13]=[C:24]3[C@@H:20]([CH2:11][C:35](=[O:58])[OH:59])[C@H:19]([CH2:4][CH2:8][C:32](=[O:52])[OH:53])[C:39](=[N:45]3)[C:37]3=[C:28]([OH:49])[CH2:7][CH2:3][C@H:18]4[C@H:21]([CH2:12][C:36](=[O:60])[OH:61])[C@@H:25]([CH2:14][C:29]1=[NH+:44]2)[N:46]=[C:38]43.[Ni+2:62]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60540
chebi:60540
XLFIRMYGVLUNOY-SXMZNAGASA-H 		coenzyme F430
F(430) tetraanion
coenzyme F430 tetraanion
coenzyme F430(4-)
factor F430 tetraanion
factor F430(4-)

kegg.compound:C05777
keggC:C05777
XLFIRMYGVLUNOY-SXMZNAGASA-M 		Coenzyme F430
Factor F430

seed.compound:cpd03425
seedM:cpd03425
XLFIRMYGVLUNOY-SXMZNAGASA-H 		Factor F430
Coenzyme F430
coenzyme F430
f430
factor F430
nickel porphinoid
oxidized coenzyme F430
oxidized cofactor F430
oxidized factor F430

CHEBI:28265
chebi:28265
XLFIRMYGVLUNOY-SXMZNAGASA-M 		coenzyme F430
Coenzyme F430
F(430)
FACTOR 430
Factor F430
cofactor F430
{3,3',3''-[5-(2-amino-2-oxoethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-9,26,27,28,30-pentaazaheptacyclo[19.5.1.1(3,6).1(8,11).1(16,19).0(1,23).0(10,15)]triaconta-6(30),9,15,19,21(27)-pentaene-4,17,22-triyl-kappa(4)N(9),N(27),N(28),N(30)]tripropanoato}nickel

metacyc.compound:CPD-7425
metacycM:CPD-7425
XLFIRMYGVLUNOY-HLJLZEDXSA-H 		oxidized factor 430
oxidized coenzyme F430
oxidized cofactor F430

chebi:23352
chebi:3808
chebi:49592
keggC:M_C05777
seedM:M_cpd03425 		secondary/obsolete/fantasy identifier