(Q74417564)

English

1-(1Z)-hexadecenyl-2-arachidonoyl-sn-glycero-3-phosphocholine

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(1Z-alkenyl),2-acylglycerophosphocholines

0 references

1-alkenyl-2-acylglycerophosphocholine

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mass

765.5672405299999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₄H₈₀NO₇P

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC=CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCC

0 references

Identifiers

InChI

InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

IOYKZPNDXIIXLN-LOQSCQKMSA-N

2 references

stated in

ChEBI release 2019-11-01

stated in

ChEBI release 2020-09-01

2 references

26 December 2021

matched by identifier from

InChIKey

IOYKZPNDXIIXLN-LOQSCQKMSA-N

ChEBI ID

77292

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1

SureChEMBL ID

SCHEMBL435238

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IOYKZPNDXIIXLN-LOQSCQKMSA-N

1 reference

Human Metabolome Database ID

HMDB0011220

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IOYKZPNDXIIXLN-LOQSCQKMSA-N

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

2 references

https://www.swisslipids.org/#/downloads

retrieved

6 November 2021

matched by identifier from

InChIKey

IOYKZPNDXIIXLN-LOQSCQKMSA-N

(Q74417564)

1-(1Z)-hexadecenyl-2-arachidonoyl-sn-glycero-3-phosphocholine

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