Molecule

3-Amino-2-tridecen-4-one; (Z)-form

AlkaPlorer ID: AK287610

Synonym: Ea-CAI-1

IUPAC Name: (Z)-3-aminotridec-2-en-4-one

SMILES: C/C=C(\N)C(=O)CCCCCCCCC

InChI: InChI=1S/C13H25NO/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h4H,3,5-11,14H2,1-2H3/b12-4-

InChIKey: AEFOOMVSTFFCHM-QCDXTXTGSA-N

PubChem CID: 91819973

CAS: 1266122-70-6

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Vibrio cholerae	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Vibrio harveyi	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 211.349

TPSA？: 43.09

MolLogP？: 3.558700000000002

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT001461	C/C=C(\N)C(=O)CCCCCCCCC>>CCCCCCCCCC(=O)C(=O)CC	RXN-16240
AKRT008502	CCCCCCCCCC(=O)[CoA].C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C(\N)C(=O)CCCCCCCCC	RXN-16241