(Q76726485)

English

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

841.5621551499999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₉H₈₀NO₈P

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canonical SMILES

CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC)COP(=O)(O)OCCN

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC

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Identifiers

InChI

InChI=1S/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,47H,3-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1

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InChIKey

HFJDOZKEVDKDAO-NJJQQFSTSA-N

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PubChem CID

53479901

1 reference

matched by identifier from

InChIKey

HFJDOZKEVDKDAO-NJJQQFSTSA-N

1 reference

1 reference

matched by identifier from

InChIKey

HFJDOZKEVDKDAO-NJJQQFSTSA-N

Human Metabolome Database ID

HMDB0009603

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HFJDOZKEVDKDAO-NJJQQFSTSA-N

2 references

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

retrieved

6 November 2021

matched by identifier from

InChIKey

HFJDOZKEVDKDAO-NJJQQFSTSA-N

(Q76726485)

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate

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