Molecule

L-histidinal

AlkaPlorer ID: AK018619

Synonym: '', 'L-Histidinaldehyde', 'Histidinaldehyde', 'L-Histidinal', 'BAY-o-6997', 'Histidinal'

IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanal

SMILES: N[C@H](C=O)CC1=CNC=N1

InChI: InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/t5-/m0/s1

InChIKey: VYOIELONWKIZJS-YFKPBYRVSA-N

PubChem CID: 152657

CAS: 23784-15-8

LOTUS: LTS0217362

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudomonas aeruginosa	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 139.158

TPSA？: 71.77000000000001

MolLogP？: -0.5216000000000007

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli (strain K12)	Histidinol dehydrogenase	Kd	1.4	nM	10.1016/0960-894X(96)00384-8

AKRT ID	Reaction	Reaction Link ID
AKRT020210	N[C@H](C=O)Cc1c[nH]cn1>>N[C@@H](Cc1c[nH]cn1)C(=O)O	HISTALDEHYD-RXN
AKRT020211	N[C@H](C=O)Cc1cnc[nH]1>>N[C@@H](Cc1cnc[nH]1)C(=O)O	enzymemap_3166
AKRT020298	N[C@H](CO)Cc1c[nH]cn1>>N[C@H](C=O)Cc1c[nH]cn1	HISTOLDEHYD-RXN
AKRT020300	N[C@H](CO)Cc1cnc[nH]1>>N[C@H](C=O)Cc1cnc[nH]1	enzymemap_3169