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1-(2-carboxylatophenylamino)-1-deoxy-D-ribulose 5-phosphate(3-)

AlkaPlorer ID: AK003565

Synonym: '', '1-(o-Carboxyphenylamino)-1-deoxyribulose-5-phosphate', "1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate", '1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate', 'erythro-Pentulose', '1-(2-carboxyphenyl)amino-1-deoxy-5-O-phosphono-D-ribulose', '1-(2-carboxylatophenyl)amino-1-deoxy-5-O-phosphonato-D-ribulose'

IUPAC Name: 2-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]amino]benzoic acid

Structure

SMILES: O=C(O)C1=CC=CC=C1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O

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InChI: InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/t10-,11+/m1/s1

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InChIKey: QKMBYNRMPRKVTO-MNOVXSKESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Arabidopsis thaliana Arabidopsis Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 349.232

TPSA？: 173.62

MolLogP？: -0.8030999999999999

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT023359 O=C(O)c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(O)c1ccccc1N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O R03509
AKRT023360 O=C(O)c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C=O IGPSYN-RXN
AKRT023361 O=C(O)c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=P(O)(O)OC[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12 IGPSYN-RXN
AKRT023366 O=C(O)c1ccccc1N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>O=C(O)c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O PRAISOM-RXN
AKRT023647 O=C=O.O=P(O)(O)OC[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12>>O=C(O)c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O MNXR179362