Hydroxyarchaetidylserine

HCID 196864

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Basic information

CAS: 134044-67-0
Standard SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(O)[C@@](NCCCP(=O)(O)O)(OCCC(C)(O)CCCC(C)CCCC(C)CCCC(C)C)C(=O)O
InChIKey: DDMAQIPVNFTVKV-SZFILMRRSA-N
Molecular formula: C46H94NO9P
Average molar mass: 836.2 g/mol
Monoisotopic mass: 835.66662057

Overview

structure given in first source; polar lipid from Methanosarcina barkeri

Names & identifiers

Preferred name: Hydroxyarchaetidylserine
IUPAC: (2R)-3-hydroxy-2-(3-hydroxy-3,7,11,15-tetramethylhexadecoxy)-2-(3-phosphonopropylamino)-3-(3,7,11,15-tetramethylhexadecoxy)propanoic acid
English name: hydroxyarchaetidylserine
Molecular formula: C46H94NO9P
Molecular weight: 836.213621

Names & synonyms

Hydroxyarchaetidylserine134044-67-0RefChem:147140DTXSID409283952-[(3-Hydroxy-3,7,11,15-tetramethylhexadecyl)oxy]-N-(3-phosphonopropyl)-3-[(3,7,11,15-tetramethylhexadecyl)oxy]-L-serine2-[(3-Hydroxy-3,7,11,15-tetramethylhexadecyl)oxy]-N-(3-phosphonopropyl)-3-[(3,7,11,15-tetramethylhexadecyl)oxy]serine

Database identifiers

CAS: 134044-67-0
PubChem CID: 196864
DTXSID: DTXSID40928395

Properties

Computed structural properties

XLogP: 11.1
Topological polar surface area: 166 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 10
Rotatable bonds: 39
Heavy atoms: 57
Formal charge: 0
Complexity: 1,040

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