Molecule

[5-(aminomethyl)-3-furyl]methyl diphosphate

AlkaPlorer ID: AK111989

Synonym: None

IUPAC Name: [5-(aminomethyl)furan-3-yl]methyl phosphono hydrogen phosphate

SMILES: NCC1=CC(COP(=O)(O)OP(=O)(O)O)=CO1

InChI: InChI=1S/C6H11NO8P2/c7-2-6-1-5(3-13-6)4-14-17(11,12)15-16(8,9)10/h1,3H,2,4,7H2,(H,11,12)(H2,8,9,10)

InChIKey: CWYTWLWLMJSIBB-UHFFFAOYSA-N

PubChem CID: 91819954

NPASS: NPC327801

COCONUT: CNP0239051

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Methanocaldococcus jannaschii	Methanocaldococcus	Methanocaldococcaceae	Methanococcales	Methanococci	Euryarchaeota	None	Archaea

Molecule Weight: 287.101

TPSA？: 152.45

MolLogP？: 0.4645999999999997

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT018535	NCc1cc(COP(=O)(O)O)co1>>NCc1cc(COP(=O)(O)OP(=O)(O)O)co1	RXN-15944
AKRT018536	NCc1cc(COP(=O)(O)OP(=O)(O)O)co1.N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O>>NCc1cc(COc2ccc(CCNC(=O)CCC(N)C(=O)O)cc2)co1	R11040
AKRT018537	NCc1cc(COP(=O)(O)OP(=O)(O)O)co1.N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O>>NCc1cc(COc2ccc(CCNC(=O)CC[C@H](N)C(=O)O)cc2)co1	RXN-15945