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molybdopterin

PropertiesImage
MNX_IDMNXM1365590 Image of MNXM1365590
referencechebi:58698
formulaC10H11N5O6PS2
global charge-3
mol weight392.335
InChIKeyHPEUEJRPDGMIMY-IFQPEPLCSA-K
InChIInChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/p-3/t2-,3+,9-/m1/s1
SMILESNC1=NC2=C(N[C@H]3C(S)=C([S-])[C@@H](COP(=O)([O-])[O-])O[C@H]3N2)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1 Image of MNXM1365590
SMILES (mnx)[CH2:1]([C@@H:2]1[C:5]([SH:23])=[C:6]([SH:24])[C@H:3]2[C@H:9]([NH:13][C:7]3=[C:4]([C:8]([OH:16])=[N:15][C:10](=[NH:11])[NH:14]3)[NH:12]2)[O:21]1)[O:20][P:22]([OH:17])([OH:18])=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-947496
reactomeM:R-ALL-947496
CHEBI:58698
chebi:58698
HPEUEJRPDGMIMY-IFQPEPLCSA-K 		molybdopterin
[(5aR,8R,9aR)-2-amino-4-oxo-6-sulfanyl-7-sulfido-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl phosphate
molybdopterin(3-)

bigg.metabolite:mpt
biggM:mpt
sabiork.compound:8271
sabiorkM:8271
vmhM:M02488
vmhmetabolite:M02488
HPEUEJRPDGMIMY-IFQPEPLCSA-N 		Molybdopterin

kegg.compound:C05924
keggC:C05924
HPEUEJRPDGMIMY-IFQPEPLCSA-N 		Molybdopterin
H2Dtpp-mP
Pyranopterin

vmhM:M02490
vmhmetabolite:M02490
HPEUEJRPDGMIMY-IFQPEPLCSA-N 		Monofucosyllactoisooctaosylceramide

vmhM:M02491
vmhmetabolite:M02491
HPEUEJRPDGMIMY-IFQPEPLCSA-N 		Monosialylgalactosylgloboside

metacyc.compound:CPD-4
metacycM:CPD-4
HPEUEJRPDGMIMY-IFQPEPLCSA-K 		molybdopterin
H2Dtpp-mP
MPT
[(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(sulfanyl)-4,5,5a,8,9a,10-hexahydro-1H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate
[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate
ene-dithiol pyranopterin
pyranopterin-dithiolate

reactome:R-ALL-38025
reactomeM:R-ALL-38025
CHEBI:44074
chebi:44074
HPEUEJRPDGMIMY-IFQPEPLCSA-N 		molybdopterin
H2Dtpp-mP
Molybdopterin
Pyranopterin
[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate
dtpp

chebi:44067
chebi:6969
biggM:M_mpt
keggC:M_C05924
vmhM:M_M02488
vmhM:M_M02490
vmhM:M_M02491 		secondary/obsolete/fantasy identifier