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CHEBI:49407 - (2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid

Default Structure
ChEBI IDCHEBI:49407
ChEBI Name(2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Stars
DownloadsMolfile
FormulaC25H31N8O9P
Net Charge0
Average Mass618.544
Monoisotopic Mass618.19516
SMILES[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])C([H])([H])[P@](=O)(O[H])C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])C(=O)c1c([H])c([H])c(N(C([H])([H])[H])C([H])([H])c2nc3c(N([H])[H])nc(N([H])[H])nc3nc2[H])c([H])c1[H]
InChIInChI=1S/C25H31N8O9P/c1-33(11-15-10-28-21-19(29-15)20(26)31-25(27)32-21)16-5-2-13(3-6-16)22(36)30-17(24(39)40)8-9-43(41,42)12-14(23(37)38)4-7-18(34)35/h2-3,5-6,10,14,17H,4,7-9,11-12H2,1H3,(H,30,36)(H,34,35)(H,37,38)(H,39,40)(H,41,42)(H4,26,27,28,31,32)/t14-,17-/m1/s1
InChIKeyBHCAHIKEPKIXJL-RHSMWYFYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid (CHEBI:49407) is a unclassifieds (CHEBI:27189)
Synonym  Source
(2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acidPDBeChem
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