D-octopine

AlkaPlorer ID: AK029875

Synonym: 'Arginine, N2-(1-carboxyethyl)-, L-', '', 'L-Arginine, N2-(1-carboxyethyl)-, (R)-', 'N(2)-(D-1-carboxyethyl)-L-arginine', 'Octopine', 'D-Octopine', 'L-Arginine, N2-(1R)-1-carboxyethyl-', '34522-32-2', 'N2-(D-1-Carboxyethyl)-L-arginine', 'N2-(1-Carboxyethyl)-L-arginine', 'D-octopine', 'D-(+)-Octopine'

IUPAC Name: (2S)-2-[[(1R)-1-carboxyethyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Structure

SMILES: C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O

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InChI: InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1

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InChIKey: IMXSCCDUAFEIOE-RITPCOANSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Eledone moschata Eledone Octopodidae Octopoda Cephalopoda Mollusca Metazoa Eukaryota

Properties Information

Molecule Weight: 246.267

TPSA: 148.53

MolLogP: -1.234429999999998

Number of H-Donors: 6

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002060 CC(=O)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O>>C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O 1.5.1.11-RXN
AKRT012821 C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O>>CC(=O)C(=O)O D-OCTOPINE-DEHYDROGENASE-RXN
AKRT012822 C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O>>C[C@@H](N[C@@H](CCCNC(=N)NP(=O)(O)O)C(=O)O)C(=O)O enzymemap_47794
AKRT012823 C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O D-OCTOPINE-DEHYDROGENASE-RXN