2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid
0 sources
2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid
Summary
2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid is a group of stereoisomers[1].
Key Facts
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's instance of is recorded as group of stereoisomers[2].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's canonical SMILES is recorded as CC(OP(=O)(O)OCC(O)C(O)C(O)Cn1c2cc(=O)ccc-2cc2c(O)nc(O)nc21)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O[3].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's InChI is recorded as InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)[4].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's InChIKey is recorded as XXFFZHQKSZLLIT-UHFFFAOYSA-N[5].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's chemical formula is recorded as C₂₉H₃₆N₅O₁₈P[6].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's subclass of is recorded as chemical compound[7].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's PubChem CID is recorded as 969[8].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+773.179295942'}[9].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's Natural Product Atlas ID is recorded as NPA004715[10].
- 2-{[4-carboxy-4-(2-{hydroxy-[2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl}oxypropanoylamino)butanoyl]amino}pentanedioic acid's UniChem compound ID is recorded as 46823211[11].