Molecule

[(2S,3S,4R)-2-hexadecanamido-3,4-dihydroxyoctadecyl]oxy[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid

AlkaPlorer ID: AK061625

Synonym: None

IUPAC Name: [(2S,3S,4R)-2-(hexadecanoylamino)-3,4-dihydroxyoctadecyl] [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate

Structure

SMILES: CCCCCCCCCCCCCCCC(O)=N[C@@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

InChI: InChI=1S/C40H80NO12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(43)41-31(30-52-54(50,51)53-40-38(48)36(46)35(45)37(47)39(40)49)34(44)32(42)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34-40,42,44-49H,3-30H2,1-2H3,(H,41,43)(H,50,51)/t31-,32+,34-,35-,36-,37+,38+,39+,40-/m0/s1

InChIKey: JMFVHCDWSIWIQH-SKKLWFJZSA-N

Reference

An Inositol-Containing Sphingolipid from the Red Alga Gracilaria verrucosa

LOTUS: LTS0249510

SuperNatural Ⅲ: SN0169258-02

NPASS: NPC127806

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Gracilariopsis longissima	Gracilariopsis	Gracilariaceae	Gracilariales	Florideophyceae	Rhodophyta	None	Eukaryota
Myrceugenia exsucca	Myrceugenia	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Naganishia albida	Naganishia	Filobasidiaceae	Filobasidiales	Tremellomycetes	Basidiomycota	Fungi	Eukaryota
Angelica tschimganica	Angelica	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gypsophila patrinii	Gypsophila	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gracilariopsis longissima	Gracilariopsis	Gracilariaceae	Gracilariales	Florideophyceae	Rhodophyta	None	Eukaryota

Properties Information

Molecule Weight: 798.0489999999994

TPSA？: 229.95999999999995

MolLogP？: 6.926100000000009

Number of H-Donors: 9

Number of H-Acceptors: 11

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi