1,2-dioleoyl-sn-glycero-3-phosphocholine(1+) (CHEBI:52360)

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CHEBI:52360 - 1,2-dioleoyl-sn-glycero-3-phosphocholine(1+)

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ChEBI Name	1,2-dioleoyl-sn-glycero-3-phosphocholine(1+)

ChEBI ID	CHEBI:52360

ChEBI ASCII Name	1,2-dioleoyl-sn-glycero-3-phosphocholine(1+)

Definition	A 1,2-diacyl-sn-glycero-3-phosphocholine in which the phosphatidyl acyl groups are both oleoyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	kieran

Secondary ChEBI IDs	CHEBI:44732, CHEBI:52319

Supplier Information	ZINC000085546471

Download	Molfile XML SDF

more structures >>

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M CHG 1 45 1

M END): 23 ms

reading 139 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

139 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Molfile

Formula

C44H85NO8P

Net Charge

Average Mass

787.12140

Monoisotopic Mass

786.60073

InChI

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1

InChIKey

SNKAWJBJQDLSFF-NVKMUCNASA-O

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via 1,2-diacyl-sn-glycero-3-phosphocholine(1+) )

Application(s):	drug Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances. (via 1,2-diacyl-sn-glycero-3-phosphocholine(1+) )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	1,2-dioleoyl-sn-glycero-3-phosphocholine(1+) (CHEBI:52360) is a 1,2-diacyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16110) 1,2-dioleoyl-sn-glycero-3-phosphocholine(1+) (CHEBI:52360) is conjugate acid of 1,2-dioleoyl-sn-glycero-3-phosphocholine (CHEBI:74669)

Incoming	1,2-dioleoyl-sn-glycero-3-phosphocholine (CHEBI:74669) is conjugate base of 1,2-dioleoyl-sn-glycero-3-phosphocholine(1+) (CHEBI:52360)

IUPAC Name

(7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide

Synonyms	Sources
1,2-Dioleoyl-L-α-lecithin	LIPID MAPS
1,2-dioleoyl-L-α-phosphatidylcholine	ChEBI
1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	PDBeChem
Dioleoyl phosphatidylcholine	LIPID MAPS
dioleoyllecithin	ChEBI
DOPC	ChEBI
PC(18:1/18:1)	LIPID MAPS

Manual Xrefs	Databases
LMGP01010890	LIPID MAPS
PCW	PDBeChem
View more database links

Registry Number	Type	Source
4116727	Beilstein Registry Number	Beilstein

Citations

Subang R, Levine JS, Janoff AS, Davidson SM, Taraschi TF, Koike T, Minchey SR, Whiteside M, Tannenbaum M, Rauch J (2000)
Phospholipid-bound beta 2-glycoprotein I induces the production of anti-phospholipid antibodies.
Journal of autoimmunity 15, 21-32 [PubMed:10936025]
[show Abstract]

Matsuura E, Igarashi Y, Fujimoto M, Ichikawa K, Suzuki T, Sumida T, Yasuda T, Koike T (1992)
Heterogeneity of anticardiolipin antibodies defined by the anticardiolipin cofactor.
Journal of immunology (Baltimore, Md. : 1950) 148, 3885-3891 [PubMed:1602135]
[show Abstract]

Last Modified

16 February 2015

CHEBI:52360 - 1,2-dioleoyl-sn-glycero-3-phosphocholine(1+)

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