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name Structure Reference Source Properties Activities Metabolism

lombricine

AlkaPlorer ID: AK068246

Synonym: '18416-85-8'

IUPAC Name: (2S)-2-amino-3-[2-(diaminomethylideneamino)ethoxy-hydroxyphosphoryl]oxypropanoic acid

Structure

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

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InChI: InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1

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InChIKey: GSDBGCKBBJVPNC-BYPYZUCNSA-N

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Reference

PubChem CID: 46931096

CAS: 18416-85-8

SuperNatural Ⅲ: SN0113888-01

NPASS: NPC209756

Source

Species Genus Family Order Class Phylum Kingdom Domain
Mallotus philippensis Mallotus Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 270.182

TPSA？: 180.98

MolLogP？: -1.9850299999999992

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT016230 N=C(N)NCCOP(=O)(O)OC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(NCCOP(=O)(O)OC[C@H](N)C(=O)O)NP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT016231 N=C(N)NCCOP(=O)(O)OC[C@H](N)C(=O)O>>N=C(NCCOP(=O)(O)OC[C@@H](N)C(=O)O)NP(=O)(O)O MNXR149719
AKRT016232 N=C(N)NCCOP(=O)(O)OC[C@H](N)C(=O)O>>N=C(NCCOP(=O)(O)OC[C@H](N)C(=O)O)NP(=O)(O)O enzymemap_47783
AKRT016288 N=C(NCCOP(=O)(O)OC[C@H](N)C(=O)O)NP(=O)(O)O>>N=C(N)NCCOP(=O)(O)OC[C@H](N)C(=O)O enzymemap_47814