H4M

5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN

Created:	2004-12-16
Last modified:	2015-04-08

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8 entries where H4M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	99
Chiral Atom Count	10
Bond Count	103
Aromatic Bond Count	6

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Chemical Component Summary
Name	5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN
Systematic Name (OpenEye OEToolkits)	2-[[(2R,3S,4R,5S)-5-[(3S,4S)-5-[4-[(6S,6aR,7R)-3-azanyl-6,7-dimethyl-1-oxidanylidene-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]phenyl]-2,3,4-tris(oxidanyl)pentoxy]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxypentanedioic acid
Formula	C₃₁ H₄₅ N₆ O₁₆ P
Molecular Weight	788.693
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1=C(N)NC(C2=C1NC(C3N2CN(C3C)c4ccc(cc4)CC(C(O)C(O)COC5OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C5O)O)C)=O
SMILES	CACTVS	3.385	C[CH]1NC2=C(N3CN([CH](C)[CH]13)c4ccc(C[CH](O)[CH](O)[CH](O)CO[CH]5O[CH](CO[P](O)(=O)OC(CCC(O)=O)C(O)=O)[CH](O)[CH]5O)cc4)C(=O)NC(=N2)N
SMILES	OpenEye OEToolkits	1.7.6	CC1C2C(N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)CC(C(C(COC5C(C(C(O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C
Canonical SMILES	CACTVS	3.385	C[C@@H]1NC2=C(N3CN([C@H](C)[C@@H]13)c4ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]5O[C@H](CO[P](O)(=O)OC(CCC(O)=O)C(O)=O)[C@@H](O)[C@H]5O)cc4)C(=O)NC(=N2)N
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C
InChI	InChI	1.03	InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17-,18+,19?,20+,22+,24-,25+,26+,30-/m0/s1
InChIKey	InChI	1.03	GBMIGEWJAPFSQI-UQXKJNEMSA-N

Drug Info: DrugBank

DrugBank ID	DB03481
Name	5,10-Dimethylene Tetrahydromethanopterin
Groups	experimental
Synonyms	5,10-Dimethylene Tetrahydromethanopterin

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Formaldehyde-activating enzyme	MAKITKVQVGEALVGDGNEVAHIDLIIGPRGSPAETAFCNGLVNNKHGFT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682