5,10-methylenetetrahydrofolate heptaglutamate (Q27130541)

5,10-Mthfpg (English)

6 October 2016

chemical formula

C₅₅H₇₂N₁₄O₂₇

1 reference

5,10-Mthfpg (English)

6 October 2016

canonical SMILES

C1C2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

1 reference

5,10-Mthfpg (English)

6 October 2016

isomeric SMILES

C1[C@@H]2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

1 reference

5,10-Mthfpg (English)

InChI=1S/C55H72N14O27/c56-55-66-44-43(46(80)67-55)69-23-68(22-26(69)21-57-44)25-3-1-24(2-4-25)45(79)65-34(54(95)96)11-19-41(76)63-32(52(91)92)9-17-39(74)61-30(50(87)88)7-15-37(72)59-28(48(83)84)5-13-35(70)58-27(47(81)82)6-14-36(71)60-29(49(85)86)8-16-38(73)62-31(51(89)90)10-18-40(75)64-33(53(93)94)12-20-42(77)78/h1-4,26-34H,5-23H2,(H,58,70)(H,59,72)(H,60,71)(H,61,74)(H,62,73)(H,63,76)(H,64,75)(H,65,79)(H,77,78)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H4,56,57,66,67,80)/t26-,27+,28+,29+,30+,31+,32+,33+,34+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

CUTQASCZIUZESA-RHVZFCAWSA-N

2 references

5,10-Mthfpg (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5,10-methylenetetrahydrofolate heptaglutamate (English)

6 October 2016

1 reference

N-{4-[(6aR)-3-Amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-g (English)

6 October 2016

1 reference