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F4M : Summary
Code ![](/pdbe/static/images/help.png)
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F4M
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5
-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol
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Synonyms ![](/pdbe/static/images/help.png)
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N5-formyl-tetrahydromethanopterin
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C31 H45 N6 O17 P
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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804.693 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C2N=C(N)NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C |
SMILES
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CACTVS |
3.370 |
C[CH](Nc1ccc(C[CH](O)[CH](O)[CH](O)CO[CH]2O[CH](CO[P](O)(=O)O[CH](CCC(O)=O)C(O)=O)[CH](O)[CH]2O)cc1)[CH]3[CH](C)NC4=C(N3C=O)C(=O)N=C(N)N4 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)C(C)Nc3ccc(cc3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.370 |
C[C@@H](Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](CO[P](O)(=O)O[C@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1)[C@H]3[C@@H](C)NC4=C(N3C=O)C(=O)N=C(N)N4 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17+,18-,19-,20-,22?,24+,25-,26-,30+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RMPHWTMYCVTPKB-DSWDSYRTSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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100 (55 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2012-09-20
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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