5-formyl-tetrahydromethanopterin

5-formyl-tetrahydromethanopterin




Chemical Formula:
C31H42N6O17P
Molecular Weight:
801.677 Daltons
Monoisotopic Mass:
804.2578805614 Daltons
SMILES:
CC([CH]1(N(C=O)C2(C(NC(=NC(NC(C)1)=2)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/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)/p-3/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1
InChIKey:
RMPHWTMYCVTPKB-ZQPYBXQSSA-K

Synonyms
  • N5-formyl-5,6,7,8-tetrahydromethanopterin
  • 5-formyl-5,6,7,8-tetrahydromethanopterin
  • 5-formyl-H4MPT
  • formyl-H4MPT
  • 5-formyl-THMPT

Databases
MetaCyc:  FORMYL-THMPT
ChEBI:  17114
PubChem (CID):  90659080 135926602
KEGG:  C01274
MetaNetX:  MNXM162740
3DMET:  B01434