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O-phosphoviomycin

MNXM4753 is deprecated and here replaced by MNXM1108260
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108260 Image of MNXM1108260
referencechebi:60080
formulaC25H45N13O13P
global charge1
mol weight766.687
InChIKeyKFNFRHMHJQINPB-GHXCTMGLSA-O
InChIInChI=1S/C25H44N13O13P/c26-3-1-2-10(27)4-16(40)32-12-6-30-23(46)18(11-5-17(41)37-24(28)36-11)38-20(43)13(7-31-25(29)47)33-21(44)14(8-39)34-22(45)15(35-19(12)42)9-51-52(48,49)50/h7,10-12,14-15,17-18,39,41H,1-6,8-9,26-27H2,(H,30,46)(H,32,40)(H,33,44)(H,34,45)(H,35,42)(H,38,43)(H3,28,36,37)(H3,29,31,47)(H2,48,49,50)/p+1/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1
SMILESNC(=O)N/C=C1\NC(=O)[C@H](CO)NC(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@@H](NC(=O)C[C@@H]([NH3+])CCC[NH3+])CNC(=O)[C@H]([C@H]2C[C@H](O)NC(=[NH2+])N2)NC1=O
MNX internals
InChI (mnx)InChI=1/C25H44N13O13P/c26-3-1-2-10(27)4-16(40)32-12-6-30-23(46)18(11-5-17(41)37-24(28)36-11)38-20(43)13(7-31-25(29)47)33-21(44)14(8-39)34-22(45)15(35-19(12)42)9-51-52(48,49)50/h7,10-12,14-15,17-18,39,41H,1-6,8-9,26-27H2,(H,30,46)(H,32,40)(H,33,44)(H,34,45)(H,35,42)(H,38,43)(H3,28,36,37)(H3,29,31,47)(H2,48,49,50)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1 Image of MNXM1108260
SMILES (mnx)[CH2:1]([CH2:2][C@@H:10]([CH2:4][C:16](=[N:32][C@H:12]1[CH2:6][N:30]=[C:23]([OH:46])[C@H:18]([C@H:11]2[CH2:5][C@H:17]([OH:41])[NH:37][C:24](=[NH:28])[NH:36]2)/[N:38]=[C:20]([OH:43])\[C:13](=[CH:7]\[NH:31][C:25](=[NH:29])[OH:47])\[N:33]=[C:21](\[OH:44])[C@H:14]([CH2:8][OH:39])[N:34]=[C:22]([OH:45])[C@H:15]([CH2:9][O:51][P:52]([OH:48])([OH:49])=[O:50])[N:35]=[C:19]1[OH:42])[OH:40])[NH2:27])[CH2:3][NH2:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60080
chebi:60080
KFNFRHMHJQINPB-GHXCTMGLSA-O 		O-phosphoviomycin
O-phosphoviomycin(1+)
[(2S,5S,8Z,11S,15S)-8-[(carbamoylamino)methylidene]-15-{[(3S)-3,6-diammoniohexanoyl]amino}-11-[(4R,6S)-6-hydroxy-2-iminiohexahydropyrimidin-4-yl]-5-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-2-yl]methyl phosphate

kegg.compound:C02574
keggC:C02574
vmhM:pvmcn
vmhmetabolite:pvmcn
KFNFRHMHJQINPB-GHXCTMGLSA-N 		O-Phosphoviomycin

seed.compound:cpd01684
seedM:cpd01684
KFNFRHMHJQINPB-IKZNKTFNSA-O 		O-Phosphoviomycin
O-phosphoviomycin
Phosphoviomycin

CHEBI:17800
chebi:17800
KFNFRHMHJQINPB-GHXCTMGLSA-N 		O-phosphoviomycin
O-Phosphoviomycin
[(2S,5S,8Z,11S,15S)-8-[(carbamoylamino)methylene]-15-{[(3S)-3,6-diaminohexanoyl]amino}-11-[(4R,6S)-6-hydroxy-2-iminohexahydropyrimidin-4-yl]-5-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-2-yl]methyl dihydrogen phosphate

metacyc.compound:VIOMYCIN-P
metacycM:VIOMYCIN-P
KFNFRHMHJQINPB-IKZNKTFNSA-O 		O-phosphoviomycin
Phosphoviomycin

chebi:12722
chebi:21971
chebi:7700
keggC:M_C02574
seedM:M_cpd01684
vmhM:M_pvmcn 		secondary/obsolete/fantasy identifier