Molecule

1-O-Alkylglycero-3-phosphocholines; 1-Hexadecylglycero-3-phosphocholine

AlkaPlorer ID: AK283875

Synonym: None

IUPAC Name: (3-hexadecoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CCCCCCCCCCCCCCCCOCC(O)COP(=O)([O-])OCC[N+](C)(C)C

InChI: InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3

InChIKey: VLBPIWYTPAXCFJ-UHFFFAOYSA-N

PubChem CID: 3983

CAS: 78119-19-4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Spirastrella	Spirastrellidae	Clionaida	Demospongiae	Porifera	Metazoa	Eukaryota
Solanderia secunda	Solanderia	Hydractiniidae	Anthoathecata	Hydrozoa	Cnidaria	Metazoa	Eukaryota

Molecule Weight: 481.6550000000002

TPSA？: 88.05

MolLogP？: 5.053000000000004

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT008196	CCCCCCCC/C=C\CCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C	enzymemap_52759
AKRT009246	CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(C)=O>>CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C	enzymemap_52693
AKRT009247	CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)O	enzymemap_57682
AKRT009248	CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57682
AKRT009256	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC>>CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C	enzymemap_53094
AKRT009258	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC(=O)O>>CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C	enzymemap_53063
AKRT009260	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC>>CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C	enzymemap_53095
AKRT009262	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC(=O)O>>CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C	enzymemap_53062