Molecule

Dodecanoic acid; Amide

AlkaPlorer ID: AK165381

Synonym: Dodecanamide, Diamid Y, Lauric amide

IUPAC Name: dodecanamide

SMILES: CCCCCCCCCCCC(=N)O

InChI: InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)

InChIKey: ILRSCQWREDREME-UHFFFAOYSA-N

PubChem CID: 14256

CAS: 1120-16-7

LOTUS: LTS0115522

COCONUT: CNP0127821

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhizoclonium hieroglyphicum	Rhizoclonium	Cladophoraceae	Cladophorales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Lagascea mollis	Lagascea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 199.338

TPSA？: 44.08

MolLogP？: 4.442570000000003

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT008560	CCCCCCCCCCCC(=O)N[C@@H](O)C(=O)O>>CCCCCCCCCCCC(N)=O	58624
AKRT008604	CCCCCCCCCCCC(N)=O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCCCCCCCCCCC(=O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	enzymemap_38042
AKRT008605	CCCCCCCCCCCC(N)=O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>NC(=O)CCCCCCCCCCCC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	enzymemap_38042
AKRT008606	CCCCCCCCCCCC(N)=O>>CCCCCCCCCCCC(=O)O	62988