tetrahydromethanopterin

Molecular Formula: C30H45N6O16P


InChI: InChI=1/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)/t12-,13+,16+,17-,18+,19-,21?,23+,24-,25-,29+/m1/s1/f/h33,35,39,45,47H,31H2

InChIKey: InChIKey=SCBIBGUJSMHIAI-YOYDLPSNDE
SMILES: CC1C(NC2=C(N1)NC(=NC2=O)N)C(C)NC3=CC=C(C=C3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O

Names:
    CHEBI:17321
    H4MPT
    tetrahydromethanopterin
    (2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
    1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino
    5,6,7,8-Tetrahydromethanopterin

Registries:
    PubChem CID 5459995
    PubChem ID 8144190