PRD_000833

5-methyltetrahydrofolate pentaglutamate

PRD_000833 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3THS.

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Chemical Component Summary

Name5-methyltetrahydrofolate pentaglutamate
Identifiers(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[[(6S)-2-azanyl-5-methyl-4-oxidanylidene-3,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
FormulaC40 H53 N11 O18
Molecular Weight975.912
TypePEPTIDE-LIKE
Isomeric SMILESCN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)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)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C40H53N11O18/c1-51-20(17-43-32-31(51)34(59)50-40(41)49-32)16-42-19-4-2-18(3-5-19)33(58)48-25(39(68)69)9-14-29(55)46-23(37(64)65)7-12-27(53)44-21(35(60)61)6-11-26(52)45-22(36(62)63)8-13-28(54)47-24(38(66)67)10-15-30(56)57/h2-5,20-25,42H,6-17H2,1H3,(H,44,53)(H,45,52)(H,46,55)(H,47,54)(H,48,58)(H,56,57)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H4,41,43,49,50,59)/t20-,21?,22?,23?,24?,25-/m0/s1
InChIKeyYTNHQTUNGACIDU-IEAKMLRNSA-N
CompositionPolymer Sequences: 03O-GGL-GGL-GGL-GGL-GGL
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count122
Chiral Atom Count6
Bond Count124
Aromatic Bond Count6