5,10-methylene-tetrahydromethanopterin

Chemical Formula:

C₃₁H₄₂N₆O₁₆P

Molecular Weight:

785.677 Daltons

Monoisotopic Mass:

788.2629659393 Daltons

SMILES:

CC4([CH]3(C(C)N(C2(C=CC(CC(O)C(O)C(O)COC1(C(O)C(C(COP([O-])(=O)OC(C(=O)[O-])CCC(=O)[O-])O1)O))=CC=2))CN3C5(C(=O)NC(N)=NC(N4)=5)))

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)/p-3/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1

InChIKey:

GBMIGEWJAPFSQI-CAFBYHECSA-K

Synonyms

N5,N10-methylene-5,6,7,8-tetrahydromethanopterin
5,10-methylene-5,6,7,8-tetrahydromethanopterin
methylene-H₄MPT
5,10-methylene-H4MPT
N5,N10-methylenetetrahydromethanopterin
5,10-Methylenetetrahydromethanopterin

Databases

MetaCyc: METHYLENETETRAHYDROMETHANOPTERIN

ChEBI: 57818 16568

PubChem (CID): 46931094 135440066

HMDB: HMDB60401

KEGG: C04377

Seed: cpd02679

MetaNetX: MNXM667

PupChem (SID): 7018

PDB-CCD: H4M

3DMET: B01737