Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:42:36 UTC
Update Date2022-09-01 02:16:32 UTC
Metabolite IDMMDBc0049787
Metabolite Identification
Common Name10-Formyltetrahydrofolate-[Glu](5)
Description4-carboxy-4-({2-[(2-{[2-({4-carboxy-4-[(4-{N-[(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]formamido}phenyl)formamido]-1-oxidobutylidene}amino)-4-carboxylato-1-oxidobutylidene]amino}-4-carboxylato-1-hydroxybutylidene)amino]-4-carboxylato-1-hydroxybutylidene}amino)butanoate belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Based on a literature review very few articles have been published on 4-carboxy-4-({2-[(2-{[2-({4-carboxy-4-[(4-{N-[(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]formamido}phenyl)formamido]-1-oxidobutylidene}amino)-4-carboxylato-1-oxidobutylidene]amino}-4-carboxylato-1-hydroxybutylidene)amino]-4-carboxylato-1-hydroxybutylidene}amino)butanoate.
Structure
Synonyms
ValueSource
4-Carboxy-4-({2-[(2-{[2-({4-carboxy-4-[(4-{n-[(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]formamido}phenyl)formamido]-1-oxidobutylidene}amino)-4-carboxylato-1-oxidobutylidene]amino}-4-carboxylato-1-hydroxybutylidene)amino]-4-carboxylato-1-hydroxybutylidene}amino)butanoic acidGenerator
Molecular FormulaC40H45N11O19
Average Mass983.861
Monoisotopic Mass983.292609752
IUPAC Name2-{4-carboxy-2-[4-carboxy-2-(4-carboxy-2-{4-carboxy-4-[(4-{N-[(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]formamido}phenyl)formamido]butanamido}butanamido)butanamido]butanamido}pentanedioate
Traditional Name2-{4-carboxy-2-[4-carboxy-2-(4-carboxy-2-{4-carboxy-4-[(4-{N-[(4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl]formamido}phenyl)formamido]butanamido}butanamido)butanamido]butanamido}pentanedioate
CAS Registry NumberNot Available
SMILES
[H]OC1=NC(=N[H])N([H])C2=C1N([H])C([H])(C([H])([H])N(C([H])=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])N2[H]
InChI Identifier
InChI=1S/C40H51N11O19/c41-40-49-32-31(37(66)50-40)43-19(15-42-32)16-51(17-52)20-3-1-18(2-4-20)33(62)47-24(38(67)68)5-10-26(53)44-21(6-11-27(54)55)34(63)45-22(7-12-28(56)57)35(64)46-23(8-13-29(58)59)36(65)48-25(39(69)70)9-14-30(60)61/h1-4,17,19,21-25,43H,5-16H2,(H,44,53)(H,45,63)(H,46,64)(H,47,62)(H,48,65)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,67,68)(H,69,70)(H4,41,42,49,50,66)/p-6
InChI KeyRGSLBOWMZCMTRA-UHFFFAOYSA-H