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name Structure Reference Source Properties Activities Metabolism

6-(3-amino-3-carboxypropanoyl)-4-hydroxy-12-oxo-12H-10-oxa-1,5-diazatetraphene-2-carboxylic acid

AlkaPlorer ID: AK054232

Synonym: None

IUPAC Name: 11-[(3S)-3-amino-3-carboxypropanoyl]-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

Structure

SMILES: N[C@@H](CC(=O)C1=CC=CC2=C1N=C1C(=CC(=O)C3=NC(C(=O)O)=CC(O)=C13)O2)C(=O)O

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InChI: InChI=1S/C20H13N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8H,4,21H2,(H,22,25)(H,27,28)(H,29,30)/t8-/m0/s1

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InChIKey: QLAHWTNCEYYDRR-QMMMGPOBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Urechis caupo Urechis Urechidae Xenopneusta Polychaeta Annelida Metazoa Eukaryota

Properties Information

Molecule Weight: 423.33700000000016

TPSA？: 193.91

MolLogP？: 1.2294999999999998

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010969 CO.N[C@@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)O)cc(O)c4c-3nc12)C(=O)O>>COC(=O)c1cc(O)c2c3nc4c(C(=O)C[C@H](N)C(=O)O)cccc4oc-3cc(=O)c2n1 RXN-22276
AKRT018734 N[C@@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)O)cc(O)c4c-3nc12)C(=O)O>>N[C@@H](CC(=O)c1cccc2c1NC1C(=CC(=O)c3nc(C(=O)O)cc(O)c31)O2)C(=O)O XANTHOMMATIN-REDUCTASE-RXN
AKRT018735 N[C@@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)O)cc(O)c4c-3nc12)C(=O)O>>N[C@@H](CC(=O)c1cccc2oc3cc(=O)c4nccc(O)c4c-3nc12)C(=O)O RXN-22278
AKRT018736 N[C@@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)O)cc(O)c4c-3nc12)C(=O)O>>O=C=O RXN-22278
AKRT020498 Nc1c(C(=O)C[C@H](N)C(=O)O)c2nc3c(C(=O)C[C@H](N)C(=O)O)cccc3oc-2cc1=O>>N[C@@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)O)cc(O)c4c-3nc12)C(=O)O RXN-22275