Sarcinapterin

AlkaPlorer ID: AK259575

Synonym: None

IUPAC Name: 2-[[2-[[5-[5-[4-[1-(2-amino-7-methyl-4-oxo-3H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-carboxybutanoyl]amino]pentanedioic acid

Structure

SMILES: CC1=NC2=C(N=C1C(C)NC1=CC=C(CC(O)C(O)C(O)COC3OC(COP(=O)(O)OC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)C(O)C3O)C=C1)C(=O)NC(N)=N2

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InChI: InChI=1S/C35H48N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18(33(54)55)7-9-23(45)46/h3-6,14,18-22,27-29,34,37,43-44,49-51H,7-13H2,1-2H3,(H,39,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H3,36,38,41,42,53)

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InChIKey: ZZZXRXDSTUEPEK-UHFFFAOYSA-N

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Reference

PubChem CID: 162939499

COCONUT: CNP0209786

Properties Information

Molecule Weight: 901.7730000000004

TPSA: 425.9500000000001

MolLogP: -2.3334799999999927

Number of H-Donors: 13

Number of H-Acceptors: 20

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information