Asolectin

HCID 5287971
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Basic information

CAS
123465-35-0
Standard SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIKey
JLPULHDHAOZNQI-ZTIMHPMXSA-N
Molecular formula
C42H80NO8P
Average molar mass
758.1 g/mol
Monoisotopic mass
757.56215515

Overview

1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine is a phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively. It is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine and a phosphatidylcholine 34:2.

Names & identifiers

Preferred name
Asolectin
IUPAC
[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
English name
Phospholipids
Molecular weight
0

Names & synonyms

AsolectinPALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE69279-91-0AzolectinRefChem:560197Soybean lecithin fraction IVSSoybean lecithin fraction IV-S602-938-1Soybean phospholipid17708-90-61-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
Show more names
TIANFU-CHEM CAS NO.123465-35-0 Phospholipids
L-|A-Phosphatidylcholine16:0-18:2 PC1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine6UCA7I41S8[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateL-alpha-LecithinPhosphatidylcholine(16:0/18:2)GPCho(16:0/18:2)

Database identifiers

CAS
123465-35-0、17708-90-6、97281-47-5
PubChem CID
5287971
DTXSID
DTXSID301334203
ChEBI
CHEBI:73002
UNII
6UCA7I41S8
EC Number
306-547-4、602-938-1
Nikkaji
J662.668H

Properties

Computed structural properties

XLogP
12.9
Topological polar surface area
111 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
40
Heavy atoms
52

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Plant Oils and Extracts
Lipids · 2 items

Lipids -> Ambiguous Lipids

Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Diacylglycerophosphocholines [GP0101]

Physical DescriptionSolid
Collision Cross Section292.2 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Ambiguous Lipids]

Physicochemical properties

Cosmetics Ingredients Functions
SKIN CONDITIONING

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (36 of 36) of all reports.

Not Classified

Aggregated GHS information provided per 36 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazards SummarySee Lecithin.
Hazard Classes and CategoriesNot Classified

Chemistry & industry

Pharmacology

Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(16:0/18:2(9Z,12Z))

Suppliers13 total

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州星北医药科技有限公司0512-0512-68437753 13861119411 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]

Related reactions

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Compound notes

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