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Ornithine

AlkaPlorer ID: AK003379

Synonym: None

IUPAC Name: [(1S)-4-azaniumyl-1-carboxybutyl]azanium

Structure

SMILES: [NH3+]CCC[C@H]([NH3+])C(=O)O

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InChI: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2/t4-/m0/s1

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InChIKey: AHLPHDHHMVZTML-BYPYZUCNSA-P

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Properties Information

Molecule Weight: 134.179

TPSA？: 92.58

MolLogP？: -2.2963999999999976

Number of H-Donors: 3

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ornithine decarboxylase Kd 250000.0 nM 10.1007/s00044-008-9103-6
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 24.67 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.05 % 10.6019/CHEMBL4495565
None No relevant target Kd 1250000.0 nM 10.1021/jm00199a009
None No relevant target LogP 4.34 None 10.1021/jm00393a031
None Unchecked Log 1/T nan None 10.1021/jm00393a031

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000074 *C(=O)CCCCCCC/C=C\C/C=C\CCCCC.NCCC[C@H](N)C(=O)O>>*C(=O)C(CCCN)NC(=O)CCCCCCC/C=C\C/C=C\CCCCC RXN-16500
AKRT000533 *C[C@@H](O)CC(*)=O.NCCC[C@H](N)C(=O)O>>*C[C@@H](O)CC(=O)N[C@@H](CCCN)C(=O)O RXN-12431
AKRT000621 *N[C@@H](CCC(=O)N[C@@H](CCCN)C(=O)O)C(=O)O>>NCCC[C@H](N)C(=O)O RXN-15004
AKRT001041 *[C@H](N)C(=O)N[C@@H](CCCN)C(=O)O>>NCCC[C@H](N)C(=O)O RXN-19943
AKRT002090 CC(=O)C(=O)O.NCCC[C@H](N)C(=O)O>>C[C@@H](N[C@@H](CCCN)C(=O)O)C(=O)O enzymemap_22859
AKRT002091 CC(=O)C(=O)O.NCCC[C@H](N)C(=O)O>>C[C@H](NCCC[C@H](N)C(=O)O)C(=O)O enzymemap_22986
AKRT002092 CC(=O)C(=O)O.NCCC[C@H](N)C(=O)O>>NCCCC(=O)C(=O)O enzymemap_42457
AKRT002093 CC(=O)C(=O)O.NCCC[C@H](N)C(=O)O>>N[C@@H](CCCNCCC(=O)O)C(=O)O 1.5.1.24-RXN
AKRT002605 CC(=O)N[C@@H](CCC(=O)O)C(=O)O.NCCC[C@H](N)C(=O)O>>CC(=O)N[C@@H](CCCN)C(=O)O R02282
AKRT002606 CC(=O)N[C@@H](CCC(=O)O)C(=O)O.NCCC[C@H](N)C(=O)O>>CC(=O)N[C@@H](CCCN)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O None
AKRT002642 CC(=O)N[C@@H](CCCN)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>NCCC[C@H](N)C(=O)O GLUTAMATE-N-ACETYLTRANSFERASE-RXN
AKRT002646 CC(=O)N[C@@H](CCCN)C(=O)O>>CC(=O)O.NCCC[C@H](N)C(=O)O None
AKRT002647 CC(=O)N[C@@H](CCCN)C(=O)O>>NCCC[C@H](N)C(=O)O ACETYLORNDEACET-RXN
AKRT003225 CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)O.NCCC[C@H](N)C(=O)O>>CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCN)C(=O)O)C(=O)O enzymemap_90345
AKRT004293 CC(=O)OP(=O)(O)O.NCCC[C@H](N)C(=O)O>>CC(=O)NCCC[C@H](N)C(=O)O enzymemap_30733
AKRT004637 CC(=O)[CoA].NCCC[C@H](N)C(=O)O>>CC(=O)NCCC[C@H](N)C(=O)O RXN-12667
AKRT005920 CC(C)C[C@H](NC(=O)[C@@H](N)CCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C>>NCCC[C@H](N)C(=O)O enzymemap_73914
AKRT005921 CC(C)C[C@H](NC(=O)[C@@H](N)CCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_73914
AKRT007126 CCC(=O)NCCC[C@H](N)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_76771
AKRT007130 CCC(=O)N[C@@H](CCCN)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_30742
AKRT007380 CCCC(=O)N[C@@H](CCCN)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_30743
AKRT012386 CSCC[C@H](N)C(=O)O.N[C@@H](CCC=O)C(=O)O>>NCCC[C@H](N)C(=O)O MNXR182597
AKRT012820 C[C@@H](N[C@@H](CCCN)C(=O)O)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_22888
AKRT015351 Cc1ncc(COP(=O)(O)O)c(CN[C@@H](CCCN)C(=O)O)c1O>>NCCC[C@H](N)C(=O)O enzymemap_22592
AKRT015828 N/C(=N/O)NCCC[C@H](N)C(=O)O>>NCCC[C@H](N)C(=O)O R10466
AKRT015847 N=C(N)NCC(=O)O.NCCC[C@H](N)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O R00565
AKRT015848 N=C(N)NCC(=O)O.NCCC[C@H](N)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O.NCC(=O)O None
AKRT016036 N=C(N)NCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O>>NCCC[C@H](N)C(=O)O 59240
AKRT016100 N=C(N)NCCC[C@H](N)C(=O)O>>NC(N)=O.NCCC[C@H](N)C(=O)O None
AKRT016101 N=C(N)NCCC[C@H](N)C(=O)O>>NCCC[C@H](N)C(=O)O GLYCINE-AMIDINOTRANSFERASE-RXN
AKRT016245 N=C(N)NOCC[C@H](N)C(=O)O.NCCC[C@H](N)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O 62444
AKRT016297 N=C(NO)NCCC[C@H](N)C(=O)O>>NC(=O)NO.NCCC[C@H](N)C(=O)O None
AKRT016298 N=C(NO)NCCC[C@H](N)C(=O)O>>NCCC[C@H](N)C(=O)O RXN-14457
AKRT017083 NC(=O)NCCC[C@H](N)C(=O)O>>NC(=O)OP(=O)(O)O.NCCC[C@H](N)C(=O)O None
AKRT017086 NC(=O)NCCC[C@H](N)C(=O)O>>NCCC[C@H](N)C(=O)O ORNCARBAMTRANSFER-RXN
AKRT017087 NC(=O)NCCC[C@H](N)C(=O)O>>NCCC[C@H](N)C(=O)O.O=C=O None
AKRT017157 NC(=O)OP(=O)(O)O.NCCC[C@H](N)C(=O)O>>NC(=O)NCCC[C@H](N)C(=O)O R01398
AKRT017158 NC(=O)OP(=O)(O)O.NCCC[C@H](N)C(=O)O>>NCCC[C@H](NC(N)=O)C(=O)O enzymemap_28142
AKRT017184 NC(=O)O[As](=O)(O)O.NCCC[C@H](N)C(=O)O>>NC(=O)NCCC[C@H](N)C(=O)O enzymemap_28129
AKRT017820 NCCC(=O)O.NCCC[C@H](N)C(=O)O>>NCCC[C@@H](NC(=O)CCN)C(=O)O enzymemap_90301
AKRT017821 NCCC(=O)O.NCCC[C@H](N)C(=O)O>>NCCC[C@H](NC(=O)CCN)C(=O)O 59588
AKRT017859 NCCCC(=O)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_22147
AKRT017863 NCCCC(=O)N[C@@H](CCCN)C(=O)O>>NCCC[C@H](N)C(=O)O 59624
AKRT018239 NCCC[C@@H](N)C(=O)O>>NCCC[C@H](N)C(=O)O R00672
AKRT018243 NCCC[C@H](N)C(=O)O.N=C(N)NCC(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O enzymemap_28150
AKRT018244 NCCC[C@H](N)C(=O)O.N=C(N)NCCCC[C@H](N)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O enzymemap_28181
AKRT018245 NCCC[C@H](N)C(=O)O.N=C(N)NOCC[C@H](N)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O enzymemap_28152
AKRT018246 NCCC[C@H](N)C(=O)O.O=C(O)C(=O)CF>>N[C@@H](CCCNC(CF)C(=O)O)C(=O)O enzymemap_22988
AKRT018247 NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>NCCCC(=O)C(=O)O 25-DIAMINOVALERATE-AMINOTRANSFERASE-RXN
AKRT018248 NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>NCCCC(NC(CCC(=O)O)C(=O)O)C(=O)O RXN-14880
AKRT018249 NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>NCCC[C@H](NC(CCC(=O)O)C(=O)O)C(=O)O enzymemap_22899
AKRT018250 NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O 25-DIAMINOVALERATE-AMINOTRANSFERASE-RXN
AKRT018251 NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC=O)C(=O)O None
AKRT018252 NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC=O)C(=O)O R00667
AKRT018253 NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)[CoA]>>NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O 65020
AKRT018254 NCCC[C@H](N)C(=O)O.O=C(O)O>>NC(=O)NCCC[C@H](N)C(=O)O MNXR133864
AKRT018255 NCCC[C@H](N)C(=O)O.O=C([CoA])c1ccccc1.O=C([CoA])c1ccccc1>>O=C(NCCC[C@H](NC(=O)c1ccccc1)C(=O)O)c1ccccc1 ORNITHINE-N-BENZOYLTRANSFERASE-RXN
AKRT018256 NCCC[C@H](N)C(=O)O.O=C=O>>NC(=O)NCCC[C@H](N)C(=O)O MNXR179312
AKRT018257 NCCC[C@H](N)C(=O)O>>C[C@H](N)C(=O)O enzymemap_42457
AKRT018258 NCCC[C@H](N)C(=O)O>>NCCCC(=O)C(=O)O 61276
AKRT018259 NCCC[C@H](N)C(=O)O>>NCCCC(N)=O enzymemap_10406
AKRT018260 NCCC[C@H](N)C(=O)O>>NCCCC(N)=O.O=C=O None
AKRT018261 NCCC[C@H](N)C(=O)O>>NCCCCN ORNDECARBOX-RXN
AKRT018262 NCCC[C@H](N)C(=O)O>>NCCCCN.O=C=O None
AKRT018263 NCCC[C@H](N)C(=O)O>>NCCC[C@@H](N)C(=O)O ORNITHINE-RACEMASE-RXN
AKRT018264 NCCC[C@H](N)C(=O)O>>NCC[C@H](O)[C@H](N)C(=O)O 40931
AKRT018265 NCCC[C@H](N)C(=O)O>>N[C@@H](CCC=O)C(=O)O ORNITHINE--OXO-ACID-AMINOTRANSFERASE-RXN
AKRT018266 NCCC[C@H](N)C(=O)O>>N[C@@H](CCCNO)C(=O)O RXN-13783
AKRT018267 NCCC[C@H](N)C(=O)O>>O=C(O)[C@@H]1CCCN1 ORNITHINE-CYCLODEAMINASE-RXN
AKRT018268 NCCC[C@H](N)C(=O)O>>O=C=O ORNDECARBOX-RXN
AKRT018273 NCCC[C@H](NC(=O)CCN)C(=O)O>>NCCC[C@H](N)C(=O)O 59612
AKRT018274 NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_67684
AKRT018276 NCCC[C@H](NC(=O)c1ccccc1)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_76744
AKRT018909 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O.NCCC[C@H](N)C(=O)O>>NCCC[C@H](NC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)C(=O)O enzymemap_90613
AKRT019259 N[C@@H](CCC=O)C(=O)O>>NCCC[C@H](N)C(=O)O ORNITHINE-GLU-AMINOTRANSFERASE-RXN
AKRT019318 N[C@@H](CCCNC(=O)c1cccnc1)C(=O)O>>NCCC[C@H](N)C(=O)O enzymemap_76772
AKRT022479 O=C(NCCC[C@H](NC(=O)c1ccccc1)C(=O)O)c1ccccc1>>NCCC[C@H](N)C(=O)O ORNITHINE-N-BENZOYLTRANSFERASE-RXN
AKRT022721 O=C(O)CC(O)(CC(=O)NCCC[C@@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O)C(=O)O>>NCCC[C@H](N)C(=O)O MNXR162785
AKRT022751 O=C(O)CCC(=O)[CoA].NCCC[C@H](N)C(=O)O>>NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O enzymemap_28444
AKRT023003 O=C(O)[C@@H]1CCC=N1>>NCCC[C@H](N)C(=O)O MNXR130418
AKRT023025 O=C(O)[C@@H]1CCCN1>>NCCC[C@H](N)C(=O)O R00671