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Phosphatidylethanolamine; Glycerol 1,2-ditetradecanoate 3-phosphoethanolamine

AlkaPlorer ID: AK310306

Synonym: 1-[[[(2-Aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl tetradecanoate, Dimyristoylphosphatidylethanolamine, 1,2-Ditetradecanoylglycero-3-phosphoethanolamine, 1,2-Dimyristoylcephalin, 2-Aminoethyl 1,2-dimyristin hydrogen phosphate

IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

Structure

SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC

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InChI: InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)

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InChIKey: NEZDNQCXEZDCBI-UHFFFAOYSA-N

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Reference

PubChem CID: 75228634

CAS: 20255-95-2

LOTUS: LTS0082631

SuperNatural Ⅲ: SN0243683-01

NPASS: NPC313291

COCONUT: CNP0343042.1

Properties Information

Molecule Weight: 635.8639999999998

TPSA？: 134.38

MolLogP？: 8.935900000000006

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens P-selectin Activity None None 10.1021/np9606761

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT008821 CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC MNXR102997
AKRT008822 CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN>>CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC MNXR102975
AKRT008831 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1>>NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O MNXR156249
AKRT008832 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC.O=C=O>>CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)O)OC(=O)CCCCCCCCCCCCC MNXR103230
AKRT008833 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC>>CCCCCCCCCCCCCC(=O)O MNXR94758
AKRT008834 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC>>CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC MNXR156249
AKRT008835 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC>>CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC MNXR162231
AKRT008836 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC>>CCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN MNXR94758
AKRT008837 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC>>NCCO MNXR162231
AKRT008842 CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN.CCCCCCCCCCCCCC(=O)[CoA]>>CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC MNXR159400