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CHEBI:44825 - 10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID

Default Structure
ChEBI IDCHEBI:44825
ChEBI Name10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC39H44N8O15
Net Charge0
Average Mass864.822
Monoisotopic Mass864.29261
SMILES[H]C#CC([H])([H])N(c1c([H])c([H])c(C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C(=O)O[H])c([H])c1[H])C([H])([H])c1c([H])c([H])c2c(c1[H])c(=O)nc(N([H])[H])n2[H]
InChIInChI=1S/C39H44N8O15/c1-2-17-47(19-20-3-8-24-23(18-20)34(54)46-39(40)45-24)22-6-4-21(5-7-22)33(53)44-28(38(61)62)11-15-31(50)42-26(36(57)58)9-13-29(48)41-25(35(55)56)10-14-30(49)43-27(37(59)60)12-16-32(51)52/h1,3-8,18,25-28H,9-17,19H2,(H,41,48)(H,42,50)(H,43,49)(H,44,53)(H,51,52)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H3,40,45,46,54)/t25-,26-,27+,28-/m0/s1
InChIKeySASAWWASHFSVQE-BPXGVECKSA-N
ChEBI Ontology
Outgoing Relation(s)
10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID (CHEBI:44825) is a unclassifieds (CHEBI:27189)
Synonyms  Source
10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACIDPDBeChem
N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acidPDBeChem
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