tetrahydromethanopterin

Chemical Formula:

C₃₀H₄₂N₆O₁₆P

Molecular Weight:

773.666 Daltons

Monoisotopic Mass:

776.2629659393 Daltons

SMILES:

CC([CH]1(C(C)NC2(=C(N1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C([O-])=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)

InChI:

1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/p-3/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1

InChIKey:

SCBIBGUJSMHIAI-LHIIQLEZSA-K

Synonyms

5,6,7,8-tetrahydromethanopterin
H₄MPT
THMPT

Databases

MetaCyc: THMPT

PubChem (CID): 49791993 135926586

HMDB: HMDB60403

ChEBI: 58103 17321

KEGG: C01217

Seed: cpd00895

MetaNetX: MNXM668

PupChem (SID): 4439

NIKKAJI: J1.153.548H